3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid
TL;DR: 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid (CAS 878466-06-9) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylic acid
Also Known As: 3-cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid, 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid, 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylic Acid, 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylic acid, 3-cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylicacid
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.25078 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 489.49332 |
Chemical Identifiers
| CAS Number | 878466-06-9 |
|---|---|
| SMILES | CSC1=C(C(=CC(=N1)C2CC2)C(=O)O)C#N |
Product Overview
3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid (CAS 878466-06-9), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylic acid.
Chemical Property Profile of 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid
Property Insights of 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid
The XLogP value of 2.25078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid. Following Lipinski's Rule of Five, 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid?
The CAS number of 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid is 878466-06-9.
What is the molecular formula of 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid?
The molecular formula of 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid is C11H10N2O2S.
What is the molecular weight of 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid?
The molecular weight of 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid is 234.05 g/mol.
Where can I buy 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid?
You can request a quote for 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-6-cyclopropyl-2-(methylsulfanyl)pyridine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.