![3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid structure](/static/products/7012/701256-27-1.webp)
3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid
TL;DR: 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid (CAS 701256-27-1) is a chemical compound with molecular formula C11H15NO4S and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(propan-2-ylsulfamoyl)benzoic acid
Also Known As: 3-isopropylsulfamoyl-4-methyl-benzoic acid, 4-methyl-3-(propan-2-ylsulfamoyl)benzoic Acid, 3-[(isopropylamino)sulfonyl]-4-methylbenzoic acid
| Molecular Formula | C11H15NO4S |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 1.37992 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.07217 |
| Heavy Atoms | 17 |
| Complexity | 534.40247 |
Chemical Identifiers
| CAS Number | 701256-27-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC(C)C |
Product Overview
3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid (CAS 701256-27-1), with molecular formula C11H15NO4S and molecular weight 257.07 g/mol. IUPAC: 4-methyl-3-(propan-2-ylsulfamoyl)benzoic acid.
Chemical Property Profile of 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid
Property Insights of 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid
The XLogP value of 1.37992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic 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 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid?
The CAS number of 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid is 701256-27-1.
What is the molecular formula of 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid?
The molecular formula of 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid is C11H15NO4S.
What is the molecular weight of 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid?
The molecular weight of 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid is 257.07 g/mol.
Where can I buy 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid?
You can request a quote for 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Isopropylamino)sulfonyl]-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.