N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide (CAS 796115-52-1) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
Also Known As: starbld0001323, N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide, N-(Benzo[d][1,3]dioxol-5-yl)-2-(methylthio)nicotinamide, N-(1,3-dioxaindan-5-yl)-2-(methylsulfanyl)pyridine-3-carboxamide, N-(2H-1,3-benzodioxol-5-yl)-2-(methylsulfanyl)pyridine-3-carboxamide
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 2.7845 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 660.6173 |
Chemical Identifiers
| CAS Number | 796115-52-1 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide (CAS 796115-52-1), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
The XLogP value of 2.7845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide has 1 hydrogen bond donor(s) and 5 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 N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide is 796115-52-1.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide is C14H12N2O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide is 288.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.