![3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid structure](/static/products/871/871547-65-8.png)
3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid
TL;DR: 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid (CAS 871547-65-8) is a chemical compound with molecular formula C9H11N3O6S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitro-4-sulfamoylanilino)propanoic acid
Also Known As: 3-[(2-nitro-4-sulfamoylphenyl)amino]propanoic acid, 2-Butanone,1-(butylthio), 3-[(phenylthio)methyl]-2-furoic acid, 3-(2-nitro-4-sulfamoylanilino)propanoic acid, 3-{[4-(aminosulfonyl)-2-nitrophenyl]amino}propanoic acid
| Molecular Formula | C9H11N3O6S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 0.1288 |
| Topological Polar Surface Area | 152.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.03687 |
| Heavy Atoms | 19 |
| Complexity | 612.381 |
Chemical Identifiers
| CAS Number | 871547-65-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])NCCC(=O)O |
Product Overview
3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid (CAS 871547-65-8), with molecular formula C9H11N3O6S and molecular weight 289.04 g/mol. IUPAC: 3-(2-nitro-4-sulfamoylanilino)propanoic acid.
Chemical Property Profile of 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid
Property Insights of 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid
The XLogP value of 0.1288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid. The TPSA of 152.63 Ų indicates high polarity, suggesting 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid has 3 hydrogen bond donor(s) and 6 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-Nitro-4-sulfamoylphenyl)amino]propanoic acid?
The CAS number of 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid is 871547-65-8.
What is the molecular formula of 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid?
The molecular formula of 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid is C9H11N3O6S.
What is the molecular weight of 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid?
The molecular weight of 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid is 289.04 g/mol.
Where can I buy 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid?
You can request a quote for 3-[(2-Nitro-4-sulfamoylphenyl)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-Nitro-4-sulfamoylphenyl)amino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Nitro-4-sulfamoylphenyl)amino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.