![2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid structure](/static/products/5276/527692-70-2.webp)
2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid
TL;DR: 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid (CAS 527692-70-2) is a chemical compound with molecular formula C22H19ClN2O5S and molecular weight 458.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]benzoic acid
Also Known As: 2-(4-(N-(4-chlorobenzyl)methylsulfonamido)benzamido)benzoic acid, 2-[({4-[(4-chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid, 2-[[4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]benzoyl]amino]benzoic Acid, 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]benzoic acid
| Molecular Formula | C22H19ClN2O5S |
|---|---|
| Molecular Weight | 458.07 g/mol |
| LogP | 4.2567 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.0703 |
| Heavy Atoms | 31 |
| Complexity | 1209.4084 |
Chemical Identifiers
| CAS Number | 527692-70-2 |
|---|---|
| SMILES | CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O |
Product Overview
2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid (CAS 527692-70-2), with molecular formula C22H19ClN2O5S and molecular weight 458.07 g/mol. IUPAC: 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]benzoic acid.
Chemical Property Profile of 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid
Property Insights of 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid
The XLogP value of 4.2567 indicates that 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid has 2 hydrogen bond donor(s) and 4 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-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid?
The CAS number of 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid is 527692-70-2.
What is the molecular formula of 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid?
The molecular formula of 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid is C22H19ClN2O5S.
What is the molecular weight of 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid?
The molecular weight of 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid is 458.07 g/mol.
Where can I buy 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid?
You can request a quote for 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)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-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[({4-[(4-Chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.