Methyl 3-chlorobenzoate
TL;DR: Methyl 3-chlorobenzoate (CAS 2905-65-9) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chlorobenzoate
Also Known As: METHYL 3-CHLOROBENZOATE, Methyl m-chlorobenzoate, Theviridoside, Benzoic acid, 3-chloro-, methyl ester, m-Chlorobenzoic acid methyl ester
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.01346 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
| Melting Point | 21 °C |
| Boiling Point | 231 °C |
| Solubility | SOL IN ALCOHOL |
| Vapor Pressure | 0.09 [mmHg] |
Chemical Identifiers
| CAS Number | 2905-65-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)Cl |
| InChIKey | XRDRKVPNHIWTBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-chlorobenzoate (CAS 2905-65-9), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: methyl 3-chlorobenzoate.
Chemical Property Profile of Methyl 3-chlorobenzoate
Property Insights of Methyl 3-chlorobenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chlorobenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl 3-chlorobenzoate?
The CAS number of Methyl 3-chlorobenzoate is 2905-65-9.
What is the molecular formula of Methyl 3-chlorobenzoate?
The molecular formula of Methyl 3-chlorobenzoate is C8H7ClO2.
What is the molecular weight of Methyl 3-chlorobenzoate?
The molecular weight of Methyl 3-chlorobenzoate is 170.01 g/mol.
Where can I buy Methyl 3-chlorobenzoate?
You can request a quote for Methyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.