![2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid structure](/static/products/1585/158581-22-7.webp)
2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid
TL;DR: 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid (CAS 158581-22-7) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-cyanopropylsulfanyl)pyridine-3-carboxylic acid
Also Known As: 2-[(3-Cyanopropyl)thio]-3-pyridinecarboxylic acid, 2-(3-cyanopropylsulfanyl)pyridine-3-carboxylic Acid, 2-[(3-CYANOPROPYL)SULFANYL]PYRIDINE-3-CARBOXYLIC ACID
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.17568 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 387.25394 |
Chemical Identifiers
| CAS Number | 158581-22-7 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCCCC#N)C(=O)O |
Product Overview
2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid (CAS 158581-22-7), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: 2-(3-cyanopropylsulfanyl)pyridine-3-carboxylic acid.
Chemical Property Profile of 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid
Property Insights of 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid
The XLogP value of 2.17568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-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 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid?
The CAS number of 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid is 158581-22-7.
What is the molecular formula of 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid?
The molecular formula of 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid is C10H10N2O2S.
What is the molecular weight of 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid?
The molecular weight of 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid is 222.05 g/mol.
Where can I buy 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid?
You can request a quote for 2-[(3-Cyanopropyl)sulfanyl]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-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Cyanopropyl)sulfanyl]pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.