Benzoic acid, 4-butyl-, 4'-propyl(1,1'-biphenyl)-4-yl ester
TL;DR: Benzoic acid, 4-butyl-, 4'-propyl(1,1'-biphenyl)-4-yl ester (CAS 59748-32-2) is a chemical compound with molecular formula C26H28O2 and molecular weight 372.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-propylphenyl)phenyl] 4-butylbenzoate
Also Known As: 4'-propylbiphenyl-4-yl 4-butylbenzoate, 4-n-Propyl-4'-(4-n-butylbenzyloxy)biphenyl, 4'-Propyl(1,1'-biphenyl)-4-yl 4-butylbenzoate, 4'-Propyl[1,1'-biphenyl]-4-yl 4-butylbenzoate, 4-(4-n-Butylbenzoyloxy)-4'-n-propylbiphenyl
| Molecular Formula | C26H28O2 |
|---|---|
| Molecular Weight | 372.21 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 372.20892 |
| Heavy Atoms | 28 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 59748-32-2 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCC |
| InChIKey | SUHTWRQMBLXNFP-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'-propyl(1,1'-biphenyl)-4-yl ester (CAS 59748-32-2), with molecular formula C26H28O2 and molecular weight 372.21 g/mol. IUPAC: [4-(4-propylphenyl)phenyl] 4-butylbenzoate.
Chemical Property Profile of Benzoic acid, 4-butyl-, 4'-propyl(1,1'-biphenyl)-4-yl ester
Property Insights of Benzoic acid, 4-butyl-, 4'-propyl(1,1'-biphenyl)-4-yl ester
The XLogP value of 8.2 indicates that Benzoic acid, 4-butyl-, 4'-propyl(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'-propyl(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'-propyl(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'-propyl(1,1'-biphenyl)-4-yl ester?
The CAS number of Benzoic acid, 4-butyl-, 4'-propyl(1,1'-biphenyl)-4-yl ester is 59748-32-2.
What is the molecular formula of Benzoic acid, 4-butyl-, 4'-propyl(1,1'-biphenyl)-4-yl ester?
The molecular formula of Benzoic acid, 4-butyl-, 4'-propyl(1,1'-biphenyl)-4-yl ester is C26H28O2.
What is the molecular weight of Benzoic acid, 4-butyl-, 4'-propyl(1,1'-biphenyl)-4-yl ester?
The molecular weight of Benzoic acid, 4-butyl-, 4'-propyl(1,1'-biphenyl)-4-yl ester is 372.21 g/mol.
Where can I buy Benzoic acid, 4-butyl-, 4'-propyl(1,1'-biphenyl)-4-yl ester?
You can request a quote for Benzoic acid, 4-butyl-, 4'-propyl(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'-propyl(1,1'-biphenyl)-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-butyl-, 4'-propyl(1,1'-biphenyl)-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.