Butyl 3-chlorobenzoate
TL;DR: Butyl 3-chlorobenzoate (CAS 72943-43-2) 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 3-chlorobenzoate
Also Known As: butyl 3-chlorobenzoate, butyl3-chlorobenzoate, Benzoic acid, 3-chloro, butyl ester, n-butyl 3-chlorobenzoate, Benzoic acid,3-chloro,butyl ester
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 4.5 |
| 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 | 72943-43-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=CC=C1)Cl |
| InChIKey | UEGSDZZPMLTPSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 3-chlorobenzoate (CAS 72943-43-2), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: butyl 3-chlorobenzoate.
Chemical Property Profile of Butyl 3-chlorobenzoate
Property Insights of Butyl 3-chlorobenzoate
The XLogP value of 4.5 indicates that Butyl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3-chlorobenzoate has 0 hydrogen bond donor(s) and 2 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 Butyl 3-chlorobenzoate?
The CAS number of Butyl 3-chlorobenzoate is 72943-43-2.
What is the molecular formula of Butyl 3-chlorobenzoate?
The molecular formula of Butyl 3-chlorobenzoate is C11H13ClO2.
What is the molecular weight of Butyl 3-chlorobenzoate?
The molecular weight of Butyl 3-chlorobenzoate is 212.06 g/mol.
Where can I buy Butyl 3-chlorobenzoate?
You can request a quote for Butyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.