3-(2-Nitrophenyl)sulfanylpropanoic acid
TL;DR: 3-(2-Nitrophenyl)sulfanylpropanoic acid (CAS 5746-45-2) is a chemical compound with molecular formula C9H9NO4S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitrophenyl)sulfanylpropanoic acid
Also Known As: 3-(2-nitrophenyl)sulfanylpropanoic acid, 3-[(2-nitrophenyl)sulfanyl]propanoic acid, 3-((2-nitrophenyl)thio)propanoic acid, 3-[(2-nitrophenyl)thio]propanoic acid, <2-Carboxy-aethyl>-<2-nitro-phenyl>-sulfid
| Molecular Formula | C9H9NO4S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.02522 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 5746-45-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SCCC(=O)O |
| InChIKey | OHKLQMGZGZMTJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Nitrophenyl)sulfanylpropanoic acid (CAS 5746-45-2), with molecular formula C9H9NO4S and molecular weight 227.03 g/mol. IUPAC: 3-(2-nitrophenyl)sulfanylpropanoic acid.
Chemical Property Profile of 3-(2-Nitrophenyl)sulfanylpropanoic acid
Property Insights of 3-(2-Nitrophenyl)sulfanylpropanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Nitrophenyl)sulfanylpropanoic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Nitrophenyl)sulfanylpropanoic acid. Following Lipinski's Rule of Five, 3-(2-Nitrophenyl)sulfanylpropanoic 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 3-(2-Nitrophenyl)sulfanylpropanoic acid?
The CAS number of 3-(2-Nitrophenyl)sulfanylpropanoic acid is 5746-45-2.
What is the molecular formula of 3-(2-Nitrophenyl)sulfanylpropanoic acid?
The molecular formula of 3-(2-Nitrophenyl)sulfanylpropanoic acid is C9H9NO4S.
What is the molecular weight of 3-(2-Nitrophenyl)sulfanylpropanoic acid?
The molecular weight of 3-(2-Nitrophenyl)sulfanylpropanoic acid is 227.03 g/mol.
Where can I buy 3-(2-Nitrophenyl)sulfanylpropanoic acid?
You can request a quote for 3-(2-Nitrophenyl)sulfanylpropanoic 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-Nitrophenyl)sulfanylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Nitrophenyl)sulfanylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.