![2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid structure](/static/products/3104/310451-75-3.webp)
2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid
TL;DR: 2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid (CAS 310451-75-3) is a chemical compound with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carboxylic acid
Also Known As: ChemDiv1_015219, 2-(3-Pyridylmethylthio)nicotinic acid, 2-{[(pyridin-3-yl)methyl]sulfanyl}pyridine-3-carboxylic acid, J3.233.371K, 2-(3-pyridylmethylthio)pyridine-3-carboxylic acid
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 2.4671 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.0463 |
| Heavy Atoms | 17 |
| Complexity | 516.9239 |
Chemical Identifiers
| CAS Number | 310451-75-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)CSC2=C(C=CC=N2)C(=O)O |
Product Overview
2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid (CAS 310451-75-3), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 2-(pyridin-3-ylmethylsulfanyl)pyridine-3-carboxylic acid.
Chemical Property Profile of 2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid
Property Insights of 2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid
The XLogP value of 2.4671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[(Pyridin-3-ylmethyl)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-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid?
The CAS number of 2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid is 310451-75-3.
What is the molecular formula of 2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid?
The molecular formula of 2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid is C12H10N2O2S.
What is the molecular weight of 2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid?
The molecular weight of 2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid is 246.05 g/mol.
Where can I buy 2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid?
You can request a quote for 2-[(Pyridin-3-ylmethyl)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-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Pyridin-3-ylmethyl)sulfanyl]pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.