![Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate structure](/static/products/831/831205-39-1.png)
Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate
TL;DR: Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate (CAS 831205-39-1) is a chemical compound with molecular formula C21H17ClN2O5S and molecular weight 444.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-4-chlorobenzoate
Also Known As: methyl 4-chloro-3-(4-(phenylsulfonamido)benzamido)benzoate, methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate
| Molecular Formula | C21H17ClN2O5S |
|---|---|
| Molecular Weight | 444.05 g/mol |
| LogP | 4.1797 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.05466 |
| Heavy Atoms | 30 |
| Complexity | 1179.7784 |
Chemical Identifiers
| CAS Number | 831205-39-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3 |
Product Overview
Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate (CAS 831205-39-1), with molecular formula C21H17ClN2O5S and molecular weight 444.05 g/mol. IUPAC: methyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-4-chlorobenzoate.
Chemical Property Profile of Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate
Property Insights of Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate
The XLogP value of 4.1797 indicates that Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate has 2 hydrogen bond donor(s) and 5 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 Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate?
The CAS number of Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate is 831205-39-1.
What is the molecular formula of Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate?
The molecular formula of Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate is C21H17ClN2O5S.
What is the molecular weight of Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate?
The molecular weight of Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate is 444.05 g/mol.
Where can I buy Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate?
You can request a quote for Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloro-3-[({4-[(phenylsulfonyl)amino]phenyl}carbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.