N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
TL;DR: N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide (CAS 341952-01-0) is a chemical compound with molecular formula C16H16N6O5S and molecular weight 404.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
Also Known As: N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide, N-(2-nitrophenyl)-2-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide, N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide, N-(2-nitrophenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
| Molecular Formula | C16H16N6O5S |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 0.6097 |
| Topological Polar Surface Area | 134.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.0903 |
| Heavy Atoms | 28 |
| Complexity | 1224.7135 |
Chemical Identifiers
| CAS Number | 341952-01-0 |
|---|---|
| SMILES | CN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])N(C(=O)N(C2=O)C)C |
Product Overview
N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide (CAS 341952-01-0), with molecular formula C16H16N6O5S and molecular weight 404.09 g/mol. IUPAC: N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide.
Chemical Property Profile of N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
Property Insights of N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
The XLogP value of 0.6097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide. The TPSA of 134.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide has 1 hydrogen bond donor(s) and 7 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-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
The CAS number of N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is 341952-01-0.
What is the molecular formula of N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
The molecular formula of N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is C16H16N6O5S.
What is the molecular weight of N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
The molecular weight of N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is 404.09 g/mol.
Where can I buy N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
You can request a quote for N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-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-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-nitrophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.