![2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid structure](/static/products/852/852537-91-8.png)
2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid
TL;DR: 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid (CAS 852537-91-8) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(propylamino)ethyl]sulfanylpyridine-3-carboxylic acid
Also Known As: SDCCGMLS-0065796.P001, 2-{[2-Oxo-2-(propylamino)ethyl]thio}nicotinic acid, 2-{[(propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid, VU0512848-1, 2-((2-oxo-2-(propylamino)ethyl)thio)nicotinic acid
| Molecular Formula | C11H14N2O3S |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 1.3981 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.07251 |
| Heavy Atoms | 17 |
| Complexity | 409.45795 |
Chemical Identifiers
| CAS Number | 852537-91-8 |
|---|---|
| SMILES | CCCNC(=O)CSC1=C(C=CC=N1)C(=O)O |
Product Overview
2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid (CAS 852537-91-8), with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol. IUPAC: 2-[2-oxo-2-(propylamino)ethyl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Property Insights of 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid
The XLogP value of 1.3981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic 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-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid?
The CAS number of 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid is 852537-91-8.
What is the molecular formula of 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid?
The molecular formula of 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid is C11H14N2O3S.
What is the molecular weight of 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid?
The molecular weight of 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid is 254.07 g/mol.
Where can I buy 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid?
You can request a quote for 2-{[(Propylcarbamoyl)methyl]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-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(Propylcarbamoyl)methyl]sulfanyl}pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.