![[1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester structure](/static/products/6519/65195-04-2.webp)
[1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester
TL;DR: [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester (CAS 65195-04-2) is a chemical compound with molecular formula C32H37NO2 and molecular weight 467.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyano-4-heptylphenyl) 4-(4-pentylphenyl)benzoate
Also Known As: 2-cyano-4-heptylphenyl 4'-pentylbiphenyl-4-carboxylate, (2-cyano-4-heptylphenyl) 4-(4-pentylphenyl)benzoate, [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester, 2-Cyano-4-heptylphenyl 4'-pentyl[1,1'-biphenyl]-4-carboxylate, (1,1'-Biphenyl)-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester
| Molecular Formula | C32H37NO2 |
|---|---|
| Molecular Weight | 467.28 g/mol |
| LogP | 10.6 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 467.28244 |
| Heavy Atoms | 35 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 65195-04-2 |
|---|---|
| SMILES | CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCC)C#N |
| InChIKey | XCAOWKAPACBAIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester (CAS 65195-04-2), with molecular formula C32H37NO2 and molecular weight 467.28 g/mol. IUPAC: (2-cyano-4-heptylphenyl) 4-(4-pentylphenyl)benzoate.
Chemical Property Profile of [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester
Property Insights of [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester
The XLogP value of 10.6 indicates that [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester?
The CAS number of [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester is 65195-04-2.
What is the molecular formula of [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester?
The molecular formula of [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester is C32H37NO2.
What is the molecular weight of [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester?
The molecular weight of [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester is 467.28 g/mol.
Where can I buy [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester?
You can request a quote for [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.