Methyl 2-(methanesulfinyl)benzoate
TL;DR: Methyl 2-(methanesulfinyl)benzoate (CAS 31419-25-7) is a chemical compound with molecular formula C9H10O3S and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methylsulfinylbenzoate
Also Known As: methyl 2-(methylsulfinyl)benzoate, Methyl 2-methylsulfinylbenzoate, methyl 2-(methylsulfinyl)benzenecarboxylate, methyl 2-methanesulfinylbenzoate, Methyl 2-(methanesulfinyl)benzoate
| Molecular Formula | C9H10O3S |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 1.2106 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.03506 |
| Heavy Atoms | 13 |
| Complexity | 346.468 |
Chemical Identifiers
| CAS Number | 31419-25-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1S(=O)C |
Product Overview
Methyl 2-(methanesulfinyl)benzoate (CAS 31419-25-7), with molecular formula C9H10O3S and molecular weight 198.04 g/mol. IUPAC: methyl 2-methylsulfinylbenzoate.
Chemical Property Profile of Methyl 2-(methanesulfinyl)benzoate
Property Insights of Methyl 2-(methanesulfinyl)benzoate
The XLogP value of 1.2106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(methanesulfinyl)benzoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 2-(methanesulfinyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(methanesulfinyl)benzoate has 0 hydrogen bond donor(s) and 3 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-(methanesulfinyl)benzoate?
The CAS number of Methyl 2-(methanesulfinyl)benzoate is 31419-25-7.
What is the molecular formula of Methyl 2-(methanesulfinyl)benzoate?
The molecular formula of Methyl 2-(methanesulfinyl)benzoate is C9H10O3S.
What is the molecular weight of Methyl 2-(methanesulfinyl)benzoate?
The molecular weight of Methyl 2-(methanesulfinyl)benzoate is 198.04 g/mol.
Where can I buy Methyl 2-(methanesulfinyl)benzoate?
You can request a quote for Methyl 2-(methanesulfinyl)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-(methanesulfinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(methanesulfinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.