N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide
TL;DR: N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide (CAS 836664-74-5) is a chemical compound with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
Also Known As: N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide, N-(2-cyanophenyl)-2-[(5-nitropyridin-2-yl)sulfanyl]acetamide, N-(2-cyanophenyl)-2-((5-nitropyridin-2-yl)thio)acetamide, N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)thio]acetamide
| Molecular Formula | C14H10N4O3S |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 2.59228 |
| Topological Polar Surface Area | 108.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.04736 |
| Heavy Atoms | 22 |
| Complexity | 740.49835 |
Chemical Identifiers
| CAS Number | 836664-74-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide (CAS 836664-74-5), with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol. IUPAC: N-(2-cyanophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.
Chemical Property Profile of N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide
Property Insights of N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide
The XLogP value of 2.59228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide. The TPSA of 108.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide has 1 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 N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide?
The CAS number of N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide is 836664-74-5.
What is the molecular formula of N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide?
The molecular formula of N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide is C14H10N4O3S.
What is the molecular weight of N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide?
The molecular weight of N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide is 314.05 g/mol.
Where can I buy N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide?
You can request a quote for N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.