Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester
TL;DR: Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester (CAS 76432-30-9) 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.
methylsulfanylmethyl 2-acetyloxybenzoate
Also Known As: methylthiomethyl acetylsalicylate, (methylsulfanyl)methyl 2-(acetyloxy)benzoate, methylsulfanylmethyl 2-acetyloxybenzoate, Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester, (methylthio)methyl 2-acetoxybenzoate
| Molecular Formula | C11H12O4S |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 1.9 |
| 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 | 76432-30-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OCSC |
| InChIKey | YFFMJOPTIBTOJH-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester (CAS 76432-30-9), with molecular formula C11H12O4S and molecular weight 240.05 g/mol. IUPAC: methylsulfanylmethyl 2-acetyloxybenzoate.
Chemical Property Profile of Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester
Property Insights of Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester 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 Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester?
The CAS number of Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester is 76432-30-9.
What is the molecular formula of Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester?
The molecular formula of Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester is C11H12O4S.
What is the molecular weight of Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester?
The molecular weight of Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester is 240.05 g/mol.
Where can I buy Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester?
You can request a quote for Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.