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Cucurbit[7]uril (CB[7]) hydrate - 95%, high purity , CAS No.259886-50-5

6 Citations

COA

Grade & Purity:

≥95%

Cas Number: 259886-50-5
Molecular Weight: 1162.96(anhydrous basis)
PubChem CID: 6096207
PubChem SID: 488195662

In stock

Item Number

C395771

Grouped product items
SKU	Size	Availability	Price	Qty
C395771-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
C395771-50mg	50mg	5	$273.90

Basic Description

Synonyms	cucurbit[7]uril \| 259886-50-5 \| CB[7] \| 3,5,8,10,13,15,18,20,23,25,28,30,33,35,36,38,40,42,46,48,50,52,54,56,58,60,62,64-octacosazadocosacyclo[30.3.3.36,7.311,12.316,17.321,22.326,27.22,36.231,38.13,35.15,8.110,13.115,18.120,23.125,28.130,33.140,46.142,64.148,5
Specifications & Purity	≥95%
Shipped In	Normal
Product Description	Product Describtion: Cucurbit[7]uril is an emerging candidate for pharmaceutical excipients.Cucurbit[7]uril enhances photosensitization of porphyrins in Neuroblastoma cells.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Peptidomimetics
    - Subclass Oligoureas

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Peptidomimetics
Subclass	Oligoureas
Intermediate Tree Nodes	Not available
Direct Parent	Oligoureas
Alternative Parents	Imidazolidinones Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Oligourea - Imidazolidinone - Imidazolidine - Carbonic acid derivative - Urea - Azacycle - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as oligoureas. These are compounds containing several urea groups linked to each other. Urea is an organic compound with the formula CO(NH2)2.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488195662
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195662
IUPAC Name	3,5,8,10,13,15,18,20,23,25,28,30,33,35,36,38,40,42,46,48,50,52,54,56,58,60,62,64-octacosazadocosacyclo[30.3.3.36,7.311,12.316,17.321,22.326,27.22,36.231,38.13,35.15,8.110,13.115,18.120,23.125,28.130,33.140,46.142,64.148,50.152,54.156,58.160,62]heptacontane-39,41,43,44,45,47,49,51,53,55,57,59,61,63-tetradecone
INCHI	InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2
InChIKey	ZDOBFUIMGBWEAB-UHFFFAOYSA-N
Smiles	C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O
Isomeric SMILES	C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O
Molecular Weight	1162.96(anhydrous basis)
Reaxy-Rn	8609049
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8609049&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
C2527269	Certificate of Analysis	Apr 18, 2025	C395771
C2318937	Certificate of Analysis	Jan 17, 2025	C395771
C2318931	Certificate of Analysis	Jan 17, 2025	C395771

Chemical and Physical Properties

Molecular Weight	1163.000 g/mol
XLogP3	-8.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	0
Exact Mass	1162.34 Da
Monoisotopic Mass	1162.34 Da
Topological Polar Surface Area	330.000 Å²
Heavy Atom Count	84
Formal Charge	0
Complexity	2540.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Pan Xu, Shixin Zhou, Sergey I. Druzhinin, Holger Schönherr, Bo Song. (2023) Design of a pH-sensitive supramolecular fluorescent probe for selective cancer cell imaging. DYES AND PIGMENTS, 217 (111366).
2. Siying Ren, Wen-Chao Geng, Xuexian Cui, Bian Wu, Zhe Zheng. (2023) A Label-Free and Continuous Fluorescence Detection for L–DOPA Decarboxylase Activity Based on Supramolecular Tandem Assay. ChemistrySelect, 8 (2): (e202203646).
3. Yi He, Xiangjian Liao, Haonan Wu, Jialiang Huang, Yi Zhang, Yanyu Peng, Zhen Wang, Xin Cao, Caijun Wu, Xiaojun Luo. (2023) A controllable SERS biosensor for ultrasensitive detection of miRNAs based on porous MOFs and subject-object recognition ability. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 289 (122134).
4. Lingxia Qin, Xinxin Ren, Kaiyue Hu, Di Wu, Zhiyong Guo, Sui Wang, Linwen Jiang, Yufang Hu. (2022) Supramolecular Host-Guest Interaction-Driven Electrochemical Recognition for Pyrophosphate and Alkaline Phosphatase Analysis. CHEMBIOCHEM, 23 (20): (e202200413).
5. Guangliang Hou, Shenxi Min, Yuhan Zhao, Bin Dong, Lina Zhang, Dahua Li, Weichun Wu, Huifang Zhu, Bo Song. (2020) Emission shift of an amphiphilic α-cyanostilbene derivative through concentration-driven two-step assembly with cucurbit[7]uril. DYES AND PIGMENTS, 180 (108460).
6. Di Wu, Lingxia Qin, Yeping Cen, Jin Lu, Shaohua Ma, Yufang Hu. (2024) Advanced electrochemical detection of pyrophosphatase activity in LNCaP cells utilizing in-situ redox of copper. MICROCHEMICAL JOURNAL, 207 (111808).

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