![Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate structure](/static/products/6948/69487-31-6.webp)
Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate
TL;DR: Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate (CAS 69487-31-6) is a chemical compound with molecular formula C11H12O4S and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methoxy-2-oxoethyl)sulfanylbenzoate
Also Known As: methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate, methyl 2-(2-methoxy-2-oxoethyl)sulfanylbenzoate, methyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]benzoate, methyl 2-((2-methoxy-2-oxoethyl)thio)benzoate, benzoic acid, 2-[(2-methoxy-2-oxoethyl)thio]-, methyl ester
| Molecular Formula | C11H12O4S |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.04562 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 69487-31-6 |
|---|---|
| SMILES | COC(=O)CSC1=CC=CC=C1C(=O)OC |
| InChIKey | VXMQJUUBNSATNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate (CAS 69487-31-6), with molecular formula C11H12O4S and molecular weight 240.05 g/mol. IUPAC: methyl 2-(2-methoxy-2-oxoethyl)sulfanylbenzoate.
Chemical Property Profile of Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate
Property Insights of Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate has 0 hydrogen bond donor(s) and 5 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-[(2-methoxy-2-oxoethyl)thio]benzoate?
The CAS number of Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate is 69487-31-6.
What is the molecular formula of Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate?
The molecular formula of Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate is C11H12O4S.
What is the molecular weight of Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate?
The molecular weight of Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate is 240.05 g/mol.
Where can I buy Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate?
You can request a quote for Methyl 2-[(2-methoxy-2-oxoethyl)thio]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-[(2-methoxy-2-oxoethyl)thio]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.