Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester
TL;DR: Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester (CAS 59748-34-4) is a chemical compound with molecular formula C28H32O2 and molecular weight 400.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-pentylphenyl)phenyl] 4-butylbenzoate
Also Known As: 4'-pentylbiphenyl-4-yl 4-butylbenzoate, 4'-Pentyl(1,1'-biphenyl)-4-yl 4-butylbenzoate, 4'-Pentyl[1,1'-biphenyl]-4-yl 4-butylbenzoate, 4-(4-n-Butylbenzoyloxy)-4'-n-pentylbiphenyl, 4-n-Pentyl-4'-(4-n-butylbenzoyloxy)biphenyl
| Molecular Formula | C28H32O2 |
|---|---|
| Molecular Weight | 400.24 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 400.24023 |
| Heavy Atoms | 30 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 59748-34-4 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC |
| InChIKey | MYVSMQJGGRPENO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester (CAS 59748-34-4), with molecular formula C28H32O2 and molecular weight 400.24 g/mol. IUPAC: [4-(4-pentylphenyl)phenyl] 4-butylbenzoate.
Chemical Property Profile of Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester
Property Insights of Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester
The XLogP value of 9.3 indicates that Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester?
The CAS number of Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester is 59748-34-4.
What is the molecular formula of Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester?
The molecular formula of Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester is C28H32O2.
What is the molecular weight of Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester?
The molecular weight of Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester is 400.24 g/mol.
Where can I buy Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester?
You can request a quote for Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-butyl-, 4'-pentyl(1,1'-biphenyl)-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.