![Methyl 2-[(chloroacetyl)oxy]benzoate structure](/static/products/6638/6638-08-0.webp)
Methyl 2-[(chloroacetyl)oxy]benzoate
TL;DR: Methyl 2-[(chloroacetyl)oxy]benzoate (CAS 6638-08-0) is a chemical compound with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-chloroacetyl)oxybenzoate
Also Known As: methyl 2-[(chloroacetyl)oxy]benzoate, methyl 2-(2-chloroacetyl)oxybenzoate, 2-(Chloroacetoxy)benzoic acid methyl ester, J3.345.547J, METHYL 2-[(2-CHLOROACETYL)OXY]BENZOATE
| Molecular Formula | C10H9ClO4 |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.01894 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 6638-08-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1OC(=O)CCl |
| InChIKey | BOMYQMNIRPEDGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-[(chloroacetyl)oxy]benzoate (CAS 6638-08-0), with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol. IUPAC: methyl 2-(2-chloroacetyl)oxybenzoate.
Chemical Property Profile of Methyl 2-[(chloroacetyl)oxy]benzoate
Property Insights of Methyl 2-[(chloroacetyl)oxy]benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(chloroacetyl)oxy]benzoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-[(chloroacetyl)oxy]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(chloroacetyl)oxy]benzoate has 0 hydrogen bond donor(s) and 4 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-[(chloroacetyl)oxy]benzoate?
The CAS number of Methyl 2-[(chloroacetyl)oxy]benzoate is 6638-08-0.
What is the molecular formula of Methyl 2-[(chloroacetyl)oxy]benzoate?
The molecular formula of Methyl 2-[(chloroacetyl)oxy]benzoate is C10H9ClO4.
What is the molecular weight of Methyl 2-[(chloroacetyl)oxy]benzoate?
The molecular weight of Methyl 2-[(chloroacetyl)oxy]benzoate is 228.02 g/mol.
Where can I buy Methyl 2-[(chloroacetyl)oxy]benzoate?
You can request a quote for Methyl 2-[(chloroacetyl)oxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(chloroacetyl)oxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(chloroacetyl)oxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.