![2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid structure](/static/products/887/887584-85-2.png)
2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid
TL;DR: 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid (CAS 887584-85-2) is a chemical compound with molecular formula C15H15NO4S2 and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-methyl-2-(methylsulfamoyl)phenyl]sulfanylbenzoic acid
Also Known As: 2-({5-methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid, AP-323/40771290, 2-[5-methyl-2-(methylsulfamoyl)phenyl]sulfanylbenzoic acid, 2-[[5-Methyl-2-[(methylamino)sulfonyl]phenyl]thio]benzoic acid, 2-{[5-Methyl-2-(methylsulfamoyl)phenyl]sulfanyl}benzoic acid
| Molecular Formula | C15H15NO4S2 |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 2.75252 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.04425 |
| Heavy Atoms | 22 |
| Complexity | 816.0422 |
Chemical Identifiers
| CAS Number | 887584-85-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)NC)SC2=CC=CC=C2C(=O)O |
Product Overview
2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid (CAS 887584-85-2), with molecular formula C15H15NO4S2 and molecular weight 337.04 g/mol. IUPAC: 2-[5-methyl-2-(methylsulfamoyl)phenyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid
Property Insights of 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid
The XLogP value of 2.75252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid. Following Lipinski's Rule of Five, 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid has 2 hydrogen bond donor(s) and 4 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 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid?
The CAS number of 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid is 887584-85-2.
What is the molecular formula of 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid?
The molecular formula of 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid is C15H15NO4S2.
What is the molecular weight of 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid?
The molecular weight of 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid is 337.04 g/mol.
Where can I buy 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid?
You can request a quote for 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-Methyl-2-[(methylamino)sulfonyl]phenyl}sulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.