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(1，3，4-Oxadiazole-2，5-diyl)bis(4，1-phenylene) bis(4-heptylbenzoate) - ≥95%, high purity , CAS No.279675-92-2

COA

Grade & Purity:

≥95%

Cas Number: 279675-92-2
Molecular Weight: 658.85
MDL number: MFCD11977700
PubChem CID: 70700793

In stock

Item Number

B769310

Grouped product items
SKU	Size	Availability	Price	Qty
B769310-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$115.90
B769310-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$424.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
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 Depsides and depsidones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Depsides and depsidones
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Depsides and depsidones
Alternative Parents	Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Heteroaromatic compounds 1,3,4-oxadiazoles Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Depside backbone - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
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

Names and Identifiers

IUPAC Name	[4-[5-[4-(4-heptylbenzoyl)oxyphenyl]-1,3,4-oxadiazol-2-yl]phenyl] 4-heptylbenzoate
INCHI	InChI=1S/C42H46N2O5/c1-3-5-7-9-11-13-31-15-19-35(20-16-31)41(45)47-37-27-23-33(24-28-37)39-43-44-40(49-39)34-25-29-38(30-26-34)48-42(46)36-21-17-32(18-22-36)14-12-10-8-6-4-2/h15-30H,3-14H2,1-2H3
InChIKey	YEHGFVANALXATC-UHFFFAOYSA-N
Smiles	CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)CCCCCCC
Isomeric SMILES	CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)CCCCCCC
PubChem CID	70700793
Molecular Weight	658.85

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	658.800 g/mol
XLogP3	12.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	20
Exact Mass	658.341 Da
Monoisotopic Mass	658.341 Da
Topological Polar Surface Area	91.500 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	855.000
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

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