![2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid structure](/static/products/3219/321979-20-8.webp)
2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid
TL;DR: 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (CAS 321979-20-8) is a chemical compound with molecular formula C14H10N2O5S and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
Also Known As: CBKinase1_000324, CBKinase1_012724, 2-((2-(3-nitrophenyl)-2-oxoethyl)thio)nicotinic acid, AF-399/36980019, 2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid
| Molecular Formula | C14H10N2O5S |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.03104 |
| Heavy Atoms | 22 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 321979-20-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=C(C=CC=N2)C(=O)O |
| InChIKey | NLLVFBUITXSIQT-UHFFFAOYSA-N |
Product Overview
2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (CAS 321979-20-8), with molecular formula C14H10N2O5S and molecular weight 318.03 g/mol. IUPAC: 2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid
Property Insights of 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid. Following Lipinski's Rule of Five, 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid has 1 hydrogen bond donor(s) and 7 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-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid?
The CAS number of 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid is 321979-20-8.
What is the molecular formula of 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid?
The molecular formula of 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid is C14H10N2O5S.
What is the molecular weight of 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid?
The molecular weight of 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid is 318.03 g/mol.
Where can I buy 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid?
You can request a quote for 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(3-Nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.