Methyl 2-chloromethylbenzoate
TL;DR: Methyl 2-chloromethylbenzoate (CAS 34040-62-5) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(chloromethyl)benzoate
Also Known As: methyl 2-(chloromethyl)benzoate, Methyl 2-chloromethylbenzoate, Methyl2-chloromethylbenzoate, methyl alpha-chloro-o-toluate, Methyl o-chloromethyl benzoate
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 34040-62-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1CCl |
| InChIKey | AAHZCIWUDPKSJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-chloromethylbenzoate (CAS 34040-62-5), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: methyl 2-(chloromethyl)benzoate.
Chemical Property Profile of Methyl 2-chloromethylbenzoate
Property Insights of Methyl 2-chloromethylbenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloromethylbenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-chloromethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloromethylbenzoate 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 2-chloromethylbenzoate?
The CAS number of Methyl 2-chloromethylbenzoate is 34040-62-5.
What is the molecular formula of Methyl 2-chloromethylbenzoate?
The molecular formula of Methyl 2-chloromethylbenzoate is C9H9ClO2.
What is the molecular weight of Methyl 2-chloromethylbenzoate?
The molecular weight of Methyl 2-chloromethylbenzoate is 184.03 g/mol.
Where can I buy Methyl 2-chloromethylbenzoate?
You can request a quote for Methyl 2-chloromethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloromethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloromethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.