Benzoic acid, 2-chloro, butyl ester
TL;DR: Benzoic acid, 2-chloro, butyl ester (CAS 55538-60-8) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-chlorobenzoate
Also Known As: butyl 2-chlorobenzoate, butyl chlorobenzoate, Benzoic acid, 2-chloro, butyl ester, n-Butyl 2-(chloro)benzoate, 2-CHLOROBENZOIC ACID BUTYL ESTER
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 55538-60-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CC=C1Cl |
| InChIKey | YOAQWDULOOZKPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-chloro, butyl ester (CAS 55538-60-8), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: butyl 2-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 2-chloro, butyl ester
Property Insights of Benzoic acid, 2-chloro, butyl ester
The XLogP value of 5.1 indicates that Benzoic acid, 2-chloro, butyl 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, 2-chloro, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro, butyl 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, 2-chloro, butyl ester?
The CAS number of Benzoic acid, 2-chloro, butyl ester is 55538-60-8.
What is the molecular formula of Benzoic acid, 2-chloro, butyl ester?
The molecular formula of Benzoic acid, 2-chloro, butyl ester is C11H13ClO2.
What is the molecular weight of Benzoic acid, 2-chloro, butyl ester?
The molecular weight of Benzoic acid, 2-chloro, butyl ester is 212.06 g/mol.
Where can I buy Benzoic acid, 2-chloro, butyl ester?
You can request a quote for Benzoic acid, 2-chloro, butyl 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, 2-chloro, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-chloro, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.