Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester
TL;DR: Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester (CAS 111833-05-7) is a chemical compound with molecular formula C20H22O4 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hexylbenzoyl)oxybenzoic acid
Also Known As: 4-(4-hexylbenzoyl)oxybenzoic acid, 4-[(4-hexylbenzoyl)oxy]benzoic acid, Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester, 4-(4-hexylbenzoyloxy)-benzoic acid, 4-(4-hexylphenylcarbonyloxy)benzoic acid
| Molecular Formula | C20H22O4 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 4.7268 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.1518 |
| Heavy Atoms | 24 |
| Complexity | 671.79 |
Chemical Identifiers
| CAS Number | 111833-05-7 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O |
Product Overview
Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester (CAS 111833-05-7), with molecular formula C20H22O4 and molecular weight 326.15 g/mol. IUPAC: 4-(4-hexylbenzoyl)oxybenzoic acid.
Chemical Property Profile of Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester
Property Insights of Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester
The XLogP value of 4.7268 indicates that Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester?
The CAS number of Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester is 111833-05-7.
What is the molecular formula of Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester?
The molecular formula of Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester is C20H22O4.
What is the molecular weight of Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester?
The molecular weight of Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester is 326.15 g/mol.
Where can I buy Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester?
You can request a quote for Benzoic acid, 4-hexyl-, 4-carboxyphenyl 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-hexyl-, 4-carboxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-hexyl-, 4-carboxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.