4-methyl-3-(phenylsulfamoyl)benzoic Acid
TL;DR: 4-methyl-3-(phenylsulfamoyl)benzoic Acid (CAS 104941-61-9) is a chemical compound with molecular formula C14H13NO4S and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(phenylsulfamoyl)benzoic acid
Also Known As: 4-methyl-3-(phenylsulfamoyl)benzoic Acid, 3-(Anilinosulfonyl)-4-methylbenzoic acid, 3-(Anilinosulfonyl)-4-methylbenzoicacid, 4-Methyl-3-(n-phenylsulfamoyl)benzoic acid, Benzoic acid, 4-methyl-3-[(phenylamino)sulfonyl]-
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 2.49402 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.05652 |
| Heavy Atoms | 20 |
| Complexity | 739.0242 |
Chemical Identifiers
| CAS Number | 104941-61-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2 |
Product Overview
4-methyl-3-(phenylsulfamoyl)benzoic Acid (CAS 104941-61-9), with molecular formula C14H13NO4S and molecular weight 291.06 g/mol. IUPAC: 4-methyl-3-(phenylsulfamoyl)benzoic acid.
Chemical Property Profile of 4-methyl-3-(phenylsulfamoyl)benzoic Acid
Property Insights of 4-methyl-3-(phenylsulfamoyl)benzoic Acid
The XLogP value of 2.49402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3-(phenylsulfamoyl)benzoic Acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-3-(phenylsulfamoyl)benzoic Acid. Following Lipinski's Rule of Five, 4-methyl-3-(phenylsulfamoyl)benzoic Acid has 2 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 4-methyl-3-(phenylsulfamoyl)benzoic Acid?
The CAS number of 4-methyl-3-(phenylsulfamoyl)benzoic Acid is 104941-61-9.
What is the molecular formula of 4-methyl-3-(phenylsulfamoyl)benzoic Acid?
The molecular formula of 4-methyl-3-(phenylsulfamoyl)benzoic Acid is C14H13NO4S.
What is the molecular weight of 4-methyl-3-(phenylsulfamoyl)benzoic Acid?
The molecular weight of 4-methyl-3-(phenylsulfamoyl)benzoic Acid is 291.06 g/mol.
Where can I buy 4-methyl-3-(phenylsulfamoyl)benzoic Acid?
You can request a quote for 4-methyl-3-(phenylsulfamoyl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-3-(phenylsulfamoyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-(phenylsulfamoyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.