![3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid structure](/static/products/831/831199-53-2.png)
3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid
TL;DR: 3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid (CAS 831199-53-2) is a chemical compound with molecular formula C14H12BrNO4S and molecular weight 368.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)sulfonylamino]-2-methylbenzoic acid
Also Known As: 3-(4-Bromophenylsulfonamido)-2-methylbenzoic acid, 3-{[(4-bromophenyl)sulfonyl]amino}-2-methylbenzoic acid, 3-[(4-bromophenyl)sulfonylamino]-2-methylbenzoic acid, 3-[(4-bromophenyl)sulfonylamino]-2-methyl-benzoic Acid
| Molecular Formula | C14H12BrNO4S |
|---|---|
| Molecular Weight | 368.97 g/mol |
| LogP | 3.25652 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.96704 |
| Heavy Atoms | 21 |
| Complexity | 785.12134 |
Chemical Identifiers
| CAS Number | 831199-53-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1NS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O |
Product Overview
3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid (CAS 831199-53-2), with molecular formula C14H12BrNO4S and molecular weight 368.97 g/mol. IUPAC: 3-[(4-bromophenyl)sulfonylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid
Property Insights of 3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid
The XLogP value of 3.25652 indicates that 3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-{[(4-Bromophenyl)sulfonyl]amino}-2-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-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid?
The CAS number of 3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid is 831199-53-2.
What is the molecular formula of 3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid?
The molecular formula of 3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid is C14H12BrNO4S.
What is the molecular weight of 3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid?
The molecular weight of 3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid is 368.97 g/mol.
Where can I buy 3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid?
You can request a quote for 3-{[(4-Bromophenyl)sulfonyl]amino}-2-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-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-Bromophenyl)sulfonyl]amino}-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.