N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
TL;DR: N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide (CAS 897454-01-2) is a chemical compound with molecular formula C16H15F2N5O3S and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
Also Known As: F2599-0070, N-(2,4-difluorophenyl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide, N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide, N-(2,4-difluorophenyl)-2-((1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)thio)acetamide
| Molecular Formula | C16H15F2N5O3S |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 0.9797 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.08636 |
| Heavy Atoms | 27 |
| Complexity | 1181.4832 |
Chemical Identifiers
| CAS Number | 897454-01-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)NC3=C(C=C(C=C3)F)F |
Product Overview
N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide (CAS 897454-01-2), with molecular formula C16H15F2N5O3S and molecular weight 395.09 g/mol. IUPAC: N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide.
Chemical Property Profile of N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
Property Insights of N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
The XLogP value of 0.9797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide 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-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
The CAS number of N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is 897454-01-2.
What is the molecular formula of N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
The molecular formula of N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is C16H15F2N5O3S.
What is the molecular weight of N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
The molecular weight of N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide is 395.09 g/mol.
Where can I buy N-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
You can request a quote for N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-difluorophenyl)-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.