Methyl 2-(methanesulfonyloxy)benzoate
TL;DR: Methyl 2-(methanesulfonyloxy)benzoate (CAS 95667-98-4) is a chemical compound with molecular formula C9H10O5S and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methylsulfonyloxybenzoate
Also Known As: methyl 2-methylsulfonyloxybenzoate, methyl 2-(methanesulfonyloxy)benzoate, methyl 2-((methylsulfonyl)oxy)benzoate, methyl 2-(methylsulphonyloxy)benzoate, 2-(Mesyloxy)benzoic acid methyl ester
| Molecular Formula | C9H10O5S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 0.8116 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.02489 |
| Heavy Atoms | 15 |
| Complexity | 463.14597 |
Chemical Identifiers
| CAS Number | 95667-98-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1OS(=O)(=O)C |
Product Overview
Methyl 2-(methanesulfonyloxy)benzoate (CAS 95667-98-4), with molecular formula C9H10O5S and molecular weight 230.02 g/mol. IUPAC: methyl 2-methylsulfonyloxybenzoate.
Chemical Property Profile of Methyl 2-(methanesulfonyloxy)benzoate
Property Insights of Methyl 2-(methanesulfonyloxy)benzoate
The XLogP value of 0.8116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(methanesulfonyloxy)benzoate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(methanesulfonyloxy)benzoate. Following Lipinski's Rule of Five, Methyl 2-(methanesulfonyloxy)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-(methanesulfonyloxy)benzoate?
The CAS number of Methyl 2-(methanesulfonyloxy)benzoate is 95667-98-4.
What is the molecular formula of Methyl 2-(methanesulfonyloxy)benzoate?
The molecular formula of Methyl 2-(methanesulfonyloxy)benzoate is C9H10O5S.
What is the molecular weight of Methyl 2-(methanesulfonyloxy)benzoate?
The molecular weight of Methyl 2-(methanesulfonyloxy)benzoate is 230.02 g/mol.
Where can I buy Methyl 2-(methanesulfonyloxy)benzoate?
You can request a quote for Methyl 2-(methanesulfonyloxy)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-(methanesulfonyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(methanesulfonyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.