![2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid structure](/static/products/1247/1247-56-9.webp)
2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid
TL;DR: 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid (CAS 1247-56-9) is a chemical compound with molecular formula C21H19NO4S and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl-(4-methylphenyl)sulfonylamino]benzoic acid
Also Known As: 2-{benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid, 2-[benzyl-(4-methylphenyl)sulfonylamino]benzoic acid, 2-[benzyl(p-tolylsulfonyl)amino]benzoic acid, 2-(N-BENZYL4-METHYLBENZENESULFONAMIDO)BENZOIC ACID, 2-((N-Benzyl-4-methylphenyl)sulfonamido)benzoic acid
| Molecular Formula | C21H19NO4S |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 4.08872 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.1035 |
| Heavy Atoms | 27 |
| Complexity | 1045.0544 |
Chemical Identifiers
| CAS Number | 1247-56-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)O |
Product Overview
2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid (CAS 1247-56-9), with molecular formula C21H19NO4S and molecular weight 381.10 g/mol. IUPAC: 2-[benzyl-(4-methylphenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid
Property Insights of 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid
The XLogP value of 4.08872 indicates that 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid has 1 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 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid?
The CAS number of 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid is 1247-56-9.
What is the molecular formula of 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid?
The molecular formula of 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid is C21H19NO4S.
What is the molecular weight of 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid?
The molecular weight of 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid is 381.10 g/mol.
Where can I buy 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid?
You can request a quote for 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}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-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{Benzyl[(4-methylphenyl)sulfonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.