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1,1-Bis(4-hydroxyphenyl)-2-phenyl-1-butene - 95%, high purity , CAS No.91221-46-4

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1,1-Bis(4-hydroxyphenyl)-2-phenyl-1-butene - 95%, high purity , CAS No.91221-46-4

2 Citations

COA

Grade & Purity:

≥95%

Cas Number: 91221-46-4
Molecular Weight: 316.4
MDL number: MFCD00870103
PubChem CID: 63059

In stock

Item Number

B405209

Grouped product items
SKU	Size	Availability	Price
B405209-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$123.90
B405209-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$219.90
B405209-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$617.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	4,4''-(2-phenylbut-1-ene-1,1-diyl)diphenol \| 4,4'-(2-phenylbut-1-ene-1,1-diyl)diphenol \| 4,4-(2-Phenylbut-1-ene-1,1-diyl)diphenol \| 4-[1-(4-HYDROXYPHENYL)-2-PHENYLBUT-1-EN-1-YL]PHENOL \| BDBM50121317 \| 1,1-Bhpe \| B5114 \| MFCD00870103 \| Tamoxifen bis-phenol
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Stilbenes

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Stilbenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Stilbenes
Alternative Parents	Diphenylmethanes Phenylpropanes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Stilbene - Diphenylmethane - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
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

Associated Targets(Human)

ESR1 Tclin Estrogen receptor (5 Activities)

Discover Target: ESR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

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

Names and Identifiers

IUPAC Name	4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenol
INCHI	InChI=1S/C22H20O2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3
InChIKey	BPKSDMHGDYTXLI-UHFFFAOYSA-N
Smiles	CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O)C3=CC=CC=C3
Isomeric SMILES	CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O)C3=CC=CC=C3
Molecular Weight	316.4
Reaxy-Rn	5072245
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5072245&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light Sensitive,Air Sensitive
Melt Point(°C)	202 °C
Molecular Weight	316.400 g/mol
XLogP3	5.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	316.146 Da
Monoisotopic Mass	316.146 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	382.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xinyu Hu, Hongli Xie, Hao Wang, Liguo Shen, Renjie Li, Hongjun Lin, Leihong Zhao, Genying Yu. (2025) Enhancing oil/water emulsion separation with inkjet printed beetle-inspired zeolitic imidazolate framework-67 modified membranes. DESALINATION, 604 (118729).
2. Minghui Jiang, Xiao Liu, Shiyu Li, Yurui Xu, Simai Wang, Lei Lu, Xinxin Li, Xinru Sun, Chunlei Xia, Ziming Wang, Suping Cui. (2025) New insights into the improvement of volume stability: Plant polyphenol modified calcium silicate hydrate (C-S-H). CEMENT AND CONCRETE RESEARCH, 191 (107828).

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