N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
TL;DR: N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide (CAS 897453-48-4) is a chemical compound with molecular formula C18H19N5O4S and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
Also Known As: G856-8465, F2599-0042, N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide, N-(4-acetylphenyl)-2-((1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)thio)acetamide, N-(4-acetylphenyl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
| Molecular Formula | C18H19N5O4S |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 0.9041 |
| Topological Polar Surface Area | 107.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.11578 |
| Heavy Atoms | 28 |
| Complexity | 1203.9147 |
Chemical Identifiers
| CAS Number | 897453-48-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C |
Product Overview
N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide (CAS 897453-48-4), with molecular formula C18H19N5O4S and molecular weight 401.12 g/mol. IUPAC: N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide.
Chemical Property Profile of N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
Property Insights of N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
The XLogP value of 0.9041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide. The TPSA of 107.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-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-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
The CAS number of N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is 897453-48-4.
What is the molecular formula of N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
The molecular formula of N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is C18H19N5O4S.
What is the molecular weight of N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
The molecular weight of N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is 401.12 g/mol.
Where can I buy N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
You can request a quote for N-(4-acetylphenyl)-2-(1,3,9-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-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-acetylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.