![2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate structure](/static/products/955/955-53-3.png)
2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate
TL;DR: 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate (CAS 955-53-3) is a chemical compound with molecular formula C13H10NO2S- and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
Also Known As: 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate, 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate
| Molecular Formula | C13H10NO2S- |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 1.90472 |
| Topological Polar Surface Area | 53.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.04323 |
| Heavy Atoms | 17 |
| Complexity | 537.37067 |
Chemical Identifiers
| CAS Number | 955-53-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)[O-] |
Product Overview
2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate (CAS 955-53-3), with molecular formula C13H10NO2S- and molecular weight 244.04 g/mol. IUPAC: 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate
Property Insights of 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate
The XLogP value of 1.90472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate. With a topological polar surface area (TPSA) of 53.02 Ų, 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate has 0 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-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate?
The CAS number of 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate is 955-53-3.
What is the molecular formula of 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate?
The molecular formula of 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate is C13H10NO2S-.
What is the molecular weight of 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate?
The molecular weight of 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate is 244.04 g/mol.
Where can I buy 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate?
You can request a quote for 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylphenyl)sulfanyl]pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.