3-(Methanesulfinylmethyl)benzoic acid
TL;DR: 3-(Methanesulfinylmethyl)benzoic acid (CAS 956332-98-2) 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.
3-(methylsulfinylmethyl)benzoic acid
Also Known As: 3-(methanesulfinylmethyl)benzoic acid, 3-(methylsulfinylmethyl)benzoic acid, 3-[(methylsulfinyl)methyl]benzoic acid, 3-(methanesulfinylmethyl)benzoicacid, 827-367-7
| Molecular Formula | C9H10O3S |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 1.2633 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.03506 |
| Heavy Atoms | 13 |
| Complexity | 346.468 |
Chemical Identifiers
| CAS Number | 956332-98-2 |
|---|---|
| SMILES | CS(=O)CC1=CC(=CC=C1)C(=O)O |
Product Overview
3-(Methanesulfinylmethyl)benzoic acid (CAS 956332-98-2), with molecular formula C9H10O3S and molecular weight 198.04 g/mol. IUPAC: 3-(methylsulfinylmethyl)benzoic acid.
Chemical Property Profile of 3-(Methanesulfinylmethyl)benzoic acid
Property Insights of 3-(Methanesulfinylmethyl)benzoic acid
The XLogP value of 1.2633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methanesulfinylmethyl)benzoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-(Methanesulfinylmethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methanesulfinylmethyl)benzoic acid has 1 hydrogen bond donor(s) and 2 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 3-(Methanesulfinylmethyl)benzoic acid?
The CAS number of 3-(Methanesulfinylmethyl)benzoic acid is 956332-98-2.
What is the molecular formula of 3-(Methanesulfinylmethyl)benzoic acid?
The molecular formula of 3-(Methanesulfinylmethyl)benzoic acid is C9H10O3S.
What is the molecular weight of 3-(Methanesulfinylmethyl)benzoic acid?
The molecular weight of 3-(Methanesulfinylmethyl)benzoic acid is 198.04 g/mol.
Where can I buy 3-(Methanesulfinylmethyl)benzoic acid?
You can request a quote for 3-(Methanesulfinylmethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methanesulfinylmethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methanesulfinylmethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.