![2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid structure](/static/products/4607/460736-32-7.webp)
2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid
TL;DR: 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid (CAS 460736-32-7) is a chemical compound with molecular formula C15H12N2O5S and molecular weight 332.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
Also Known As: 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid, BAS 04448028, 2-(Benzo[1,3]dioxol-5-ylcarbamoylmethylsulfanyl)-nicotinic acid, 2-({[(1,3-dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid, 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
| Molecular Formula | C15H12N2O5S |
|---|---|
| Molecular Weight | 332.05 g/mol |
| LogP | 2.2393 |
| Topological Polar Surface Area | 97.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.0467 |
| Heavy Atoms | 23 |
| Complexity | 765.2825 |
Chemical Identifiers
| CAS Number | 460736-32-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)O |
Product Overview
2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid (CAS 460736-32-7), with molecular formula C15H12N2O5S and molecular weight 332.05 g/mol. IUPAC: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid
Property Insights of 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid
The XLogP value of 2.2393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid. The TPSA of 97.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid has 2 hydrogen bond donor(s) and 6 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-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid?
The CAS number of 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid is 460736-32-7.
What is the molecular formula of 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid?
The molecular formula of 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid is C15H12N2O5S.
What is the molecular weight of 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid?
The molecular weight of 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid is 332.05 g/mol.
Where can I buy 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid?
You can request a quote for 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]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-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.