2-(4-Nitrobenzenesulfonyl)propanoic acid
TL;DR: 2-(4-Nitrobenzenesulfonyl)propanoic acid (CAS 104383-70-2) is a chemical compound with molecular formula C9H9NO6S and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)sulfonylpropanoic acid
Also Known As: 2-(4-nitrobenzenesulfonyl)propanoic acid, 2-(4-nitrophenyl)sulfonylpropanoic Acid, 2-[(4-nitrophenyl)sulfonyl]propanoic acid, 2-(4-nitrobenzenesulfonyl)propanoicacid
| Molecular Formula | C9H9NO6S |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 0.8416 |
| Topological Polar Surface Area | 114.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.01505 |
| Heavy Atoms | 17 |
| Complexity | 547.35376 |
Chemical Identifiers
| CAS Number | 104383-70-2 |
|---|---|
| SMILES | CC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
2-(4-Nitrobenzenesulfonyl)propanoic acid (CAS 104383-70-2), with molecular formula C9H9NO6S and molecular weight 259.02 g/mol. IUPAC: 2-(4-nitrophenyl)sulfonylpropanoic acid.
Chemical Property Profile of 2-(4-Nitrobenzenesulfonyl)propanoic acid
Property Insights of 2-(4-Nitrobenzenesulfonyl)propanoic acid
The XLogP value of 0.8416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrobenzenesulfonyl)propanoic acid. The TPSA of 114.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrobenzenesulfonyl)propanoic acid. Following Lipinski's Rule of Five, 2-(4-Nitrobenzenesulfonyl)propanoic acid has 1 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 2-(4-Nitrobenzenesulfonyl)propanoic acid?
The CAS number of 2-(4-Nitrobenzenesulfonyl)propanoic acid is 104383-70-2.
What is the molecular formula of 2-(4-Nitrobenzenesulfonyl)propanoic acid?
The molecular formula of 2-(4-Nitrobenzenesulfonyl)propanoic acid is C9H9NO6S.
What is the molecular weight of 2-(4-Nitrobenzenesulfonyl)propanoic acid?
The molecular weight of 2-(4-Nitrobenzenesulfonyl)propanoic acid is 259.02 g/mol.
Where can I buy 2-(4-Nitrobenzenesulfonyl)propanoic acid?
You can request a quote for 2-(4-Nitrobenzenesulfonyl)propanoic 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-Nitrobenzenesulfonyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrobenzenesulfonyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.