![3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid structure](/static/products/6966/696649-59-9.webp)
3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid
TL;DR: 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid (CAS 696649-59-9) is a chemical compound with molecular formula C15H13ClN2O6S and molecular weight 384.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonamido)-3-(2-chloro-5-nitrophenyl)propanoic acid
Also Known As: 3-(2-chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid, A3469/0147053, 3-(benzenesulfonamido)-3-(2-chloro-5-nitrophenyl)propanoic acid, 2-Chloro-5-nitro-beta-[(phenylsulfonyl)amino]benzenepropanoic acid, 2-Chloro-5-nitro-I(2)-[(phenylsulfonyl)amino]benzenepropanoic acid
| Molecular Formula | C15H13ClN2O6S |
|---|---|
| Molecular Weight | 384.02 g/mol |
| LogP | 2.7425 |
| Topological Polar Surface Area | 126.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.01828 |
| Heavy Atoms | 25 |
| Complexity | 901.49255 |
Chemical Identifiers
| CAS Number | 696649-59-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl |
Product Overview
3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid (CAS 696649-59-9), with molecular formula C15H13ClN2O6S and molecular weight 384.02 g/mol. IUPAC: 3-(benzenesulfonamido)-3-(2-chloro-5-nitrophenyl)propanoic acid.
Chemical Property Profile of 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid
Property Insights of 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid
The XLogP value of 2.7425 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid. The TPSA of 126.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid. Following Lipinski's Rule of Five, 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid 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 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid?
The CAS number of 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid is 696649-59-9.
What is the molecular formula of 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid?
The molecular formula of 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid is C15H13ClN2O6S.
What is the molecular weight of 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid?
The molecular weight of 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid is 384.02 g/mol.
Where can I buy 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid?
You can request a quote for 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-5-nitrophenyl)-3-[(phenylsulfonyl)amino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.