9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide
TL;DR: 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide (CAS 898441-90-2) is a chemical compound with molecular formula C21H18FN5O2 and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide
Also Known As: AB00679644-01, F2565-0020, 9-(2-fluorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide, 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide, 9-(2-fluorophenyl)-2-(4-isopropylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
| Molecular Formula | C21H18FN5O2 |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 3.1372 |
| Topological Polar Surface Area | 106.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.14444 |
| Heavy Atoms | 29 |
| Complexity | 1288.9181 |
Chemical Identifiers
| CAS Number | 898441-90-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC=C4F)C(=O)N |
Product Overview
9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide (CAS 898441-90-2), with molecular formula C21H18FN5O2 and molecular weight 391.14 g/mol. IUPAC: 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide.
Chemical Property Profile of 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide
Property Insights of 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide
The XLogP value of 3.1372 indicates that 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide. Following Lipinski's Rule of Five, 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide has 2 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 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide?
The CAS number of 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide is 898441-90-2.
What is the molecular formula of 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide?
The molecular formula of 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide is C21H18FN5O2.
What is the molecular weight of 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide?
The molecular weight of 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide is 391.14 g/mol.
Where can I buy 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide?
You can request a quote for 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-fluorophenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.