![4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid structure](/static/products/3334/333441-49-9.webp)
4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid
TL;DR: 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid (CAS 333441-49-9) is a chemical compound with molecular formula C15H13Cl2NO4S and molecular weight 372.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]benzoic acid
Also Known As: TimTec1_001572, 4-{[(2,3-dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid, BAS 01933008, 4-([(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl)benzoic acid, 4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]benzoic acid
| Molecular Formula | C15H13Cl2NO4S |
|---|---|
| Molecular Weight | 372.99 g/mol |
| LogP | 3.6578 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.99423 |
| Heavy Atoms | 23 |
| Complexity | 835.0554 |
Chemical Identifiers
| CAS Number | 333441-49-9 |
|---|---|
| SMILES | CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=C(C(=CC=C2)Cl)Cl |
Product Overview
4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid (CAS 333441-49-9), with molecular formula C15H13Cl2NO4S and molecular weight 372.99 g/mol. IUPAC: 4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]benzoic acid.
Chemical Property Profile of 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid
Property Insights of 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid
The XLogP value of 3.6578 indicates that 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}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 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}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 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid?
The CAS number of 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid is 333441-49-9.
What is the molecular formula of 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid?
The molecular formula of 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid is C15H13Cl2NO4S.
What is the molecular weight of 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid?
The molecular weight of 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid is 372.99 g/mol.
Where can I buy 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid?
You can request a quote for 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}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-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2,3-Dichlorophenyl)(methylsulfonyl)amino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.