![2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid structure](/static/products/3044/304475-38-5.webp)
2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid
TL;DR: 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid (CAS 304475-38-5) is a chemical compound with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid
Also Known As: ChemDiv1_002031, 2-((4-nitrobenzyl)thio)nicotinic acid, 2-[(4-nitrobenzyl)thio]nicotinic acid, 2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid, 2-[(4-nitrobenzyl)sulfanyl]pyridine-3-carboxylic acid
| Molecular Formula | C13H10N2O4S |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.03613 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 304475-38-5 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | LFALEDFUNKOOBJ-UHFFFAOYSA-N |
Product Overview
2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid (CAS 304475-38-5), with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol. IUPAC: 2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid.
Chemical Property Profile of 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid
Property Insights of 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid has 1 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 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid?
The CAS number of 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid is 304475-38-5.
What is the molecular formula of 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid?
The molecular formula of 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid is C13H10N2O4S.
What is the molecular weight of 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid?
The molecular weight of 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid is 290.04 g/mol.
Where can I buy 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid?
You can request a quote for 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic 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-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.