Benzoic acid, 4-chloro-, 4-methoxyphenyl ester
TL;DR: Benzoic acid, 4-chloro-, 4-methoxyphenyl ester (CAS 622-47-9) is a chemical compound with molecular formula C14H11ClO3 and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 4-chlorobenzoate
Also Known As: 4-Methoxyphenyl 4-chlorobenzoate, TimTec1_005506, Benzoic acid, 4-chloro-, 4-methoxyphenyl ester, (4-methoxyphenyl) 4-chlorobenzoate, 4-Chlorobenzoic acid 4-methoxyphenyl ester
| Molecular Formula | C14H11ClO3 |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.03967 |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 622-47-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | MSZPFWFDFWYVOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-chloro-, 4-methoxyphenyl ester (CAS 622-47-9), with molecular formula C14H11ClO3 and molecular weight 262.04 g/mol. IUPAC: (4-methoxyphenyl) 4-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 4-chloro-, 4-methoxyphenyl ester
Property Insights of Benzoic acid, 4-chloro-, 4-methoxyphenyl ester
The XLogP value of 4.2 indicates that Benzoic acid, 4-chloro-, 4-methoxyphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, 4-chloro-, 4-methoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-chloro-, 4-methoxyphenyl ester has 0 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-chloro-, 4-methoxyphenyl ester?
The CAS number of Benzoic acid, 4-chloro-, 4-methoxyphenyl ester is 622-47-9.
What is the molecular formula of Benzoic acid, 4-chloro-, 4-methoxyphenyl ester?
The molecular formula of Benzoic acid, 4-chloro-, 4-methoxyphenyl ester is C14H11ClO3.
What is the molecular weight of Benzoic acid, 4-chloro-, 4-methoxyphenyl ester?
The molecular weight of Benzoic acid, 4-chloro-, 4-methoxyphenyl ester is 262.04 g/mol.
Where can I buy Benzoic acid, 4-chloro-, 4-methoxyphenyl ester?
You can request a quote for Benzoic acid, 4-chloro-, 4-methoxyphenyl 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-chloro-, 4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-chloro-, 4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.