N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
TL;DR: N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide (CAS 847784-94-5) is a chemical compound with molecular formula C15H13ClFN5O3 and molecular weight 365.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
Also Known As: N-(2-chloro-4-fluoro-phenyl)-2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetamide, N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide, N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
| Molecular Formula | C15H13ClFN5O3 |
|---|---|
| Molecular Weight | 365.07 g/mol |
| LogP | 0.8649 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.0691 |
| Heavy Atoms | 25 |
| Complexity | 1114.778 |
Chemical Identifiers
| CAS Number | 847784-94-5 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=C(C=C(C=C3)F)Cl |
Product Overview
N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide (CAS 847784-94-5), with molecular formula C15H13ClFN5O3 and molecular weight 365.07 g/mol. IUPAC: N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide.
Chemical Property Profile of N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
Property Insights of N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
The XLogP value of 0.8649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide. Following Lipinski's Rule of Five, N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide has 1 hydrogen bond donor(s) and 4 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-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
The CAS number of N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide is 847784-94-5.
What is the molecular formula of N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
The molecular formula of N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide is C15H13ClFN5O3.
What is the molecular weight of N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
The molecular weight of N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide is 365.07 g/mol.
Where can I buy N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
You can request a quote for N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-4-fluorophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.