![I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid structure](/static/products/7945/794573-85-6.webp)
I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid
TL;DR: I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid (CAS 794573-85-6) is a chemical compound with molecular formula C15H12Cl2N2O6S and molecular weight 417.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,5-dichlorophenyl)sulfonylamino]-3-(2-nitrophenyl)propanoic acid
Also Known As: 3-[(3,5-dichlorophenyl)sulfonylamino]-3-(2-nitrophenyl)propanoic Acid, 3-[(3,5-Dichlorobenzene-1-sulfonyl)amino]-3-(2-nitrophenyl)propanoic acid, beta-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid, I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid
| Molecular Formula | C15H12Cl2N2O6S |
|---|---|
| Molecular Weight | 417.98 g/mol |
| LogP | 3.3959 |
| Topological Polar Surface Area | 126.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.9793 |
| Heavy Atoms | 26 |
| Complexity | 944.109 |
Chemical Identifiers
| CAS Number | 794573-85-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(CC(=O)O)NS(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)[N+](=O)[O-] |
Product Overview
I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid (CAS 794573-85-6), with molecular formula C15H12Cl2N2O6S and molecular weight 417.98 g/mol. IUPAC: 3-[(3,5-dichlorophenyl)sulfonylamino]-3-(2-nitrophenyl)propanoic acid.
Chemical Property Profile of I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid
Property Insights of I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid
The XLogP value of 3.3959 indicates that I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.61 Ų falls within the moderate polarity range, balancing permeability and solubility for I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid. Following Lipinski's Rule of Five, I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic 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 I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid?
The CAS number of I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid is 794573-85-6.
What is the molecular formula of I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid?
The molecular formula of I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid is C15H12Cl2N2O6S.
What is the molecular weight of I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid?
The molecular weight of I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid is 417.98 g/mol.
Where can I buy I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid?
You can request a quote for I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for I(2)-[[(3,5-Dichlorophenyl)sulfonyl]amino]-2-nitrobenzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.