![2-[(2-Carboxyethyl)sulfanyl]nicotinic acid structure](/static/products/2864/286472-02-4.webp)
2-[(2-Carboxyethyl)sulfanyl]nicotinic acid
TL;DR: 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid (CAS 286472-02-4) is a chemical compound with molecular formula C9H9NO4S and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-carboxyethylsulfanyl)pyridine-3-carboxylic acid
Also Known As: 2-[(2-carboxyethyl)sulfanyl]nicotinic acid, 2-((2-Carboxyethyl)thio)nicotinic acid, carboxyethylsulfanylnicotinicacid, 2-(2-carboxyethylsulfanyl)pyridine-3-carboxylic Acid, 2-((2-Carboxyethyl)thio)nicotinicacid
| Molecular Formula | C9H9NO4S |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 1.3466 |
| Topological Polar Surface Area | 87.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.02522 |
| Heavy Atoms | 15 |
| Complexity | 380.13004 |
Chemical Identifiers
| CAS Number | 286472-02-4 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCCC(=O)O)C(=O)O |
Product Overview
2-[(2-Carboxyethyl)sulfanyl]nicotinic acid (CAS 286472-02-4), with molecular formula C9H9NO4S and molecular weight 227.03 g/mol. IUPAC: 2-(2-carboxyethylsulfanyl)pyridine-3-carboxylic acid.
Chemical Property Profile of 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid
Property Insights of 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid
The XLogP value of 1.3466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid. The TPSA of 87.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid. Following Lipinski's Rule of Five, 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid has 2 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-[(2-Carboxyethyl)sulfanyl]nicotinic acid?
The CAS number of 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid is 286472-02-4.
What is the molecular formula of 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid?
The molecular formula of 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid is C9H9NO4S.
What is the molecular weight of 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid?
The molecular weight of 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid is 227.03 g/mol.
Where can I buy 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid?
You can request a quote for 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Carboxyethyl)sulfanyl]nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.