9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
TL;DR: 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide (CAS 869068-97-3) is a chemical compound with molecular formula C18H11FN6O4 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide
Also Known As: 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide, AB00676467-01, F1848-0031, 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide
| Molecular Formula | C18H11FN6O4 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 1.922 |
| Topological Polar Surface Area | 149.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.08258 |
| Heavy Atoms | 29 |
| Complexity | 1325.7229 |
Chemical Identifiers
| CAS Number | 869068-97-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N)[N+](=O)[O-] |
Product Overview
9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide (CAS 869068-97-3), with molecular formula C18H11FN6O4 and molecular weight 394.08 g/mol. IUPAC: 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-7H-purine-6-carboxamide.
Chemical Property Profile of 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Property Insights of 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
The XLogP value of 1.922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide. The TPSA of 149.8 Ų indicates high polarity, suggesting 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide has 2 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 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The CAS number of 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is 869068-97-3.
What is the molecular formula of 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The molecular formula of 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is C18H11FN6O4.
What is the molecular weight of 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The molecular weight of 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is 394.08 g/mol.
Where can I buy 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
You can request a quote for 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-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-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-fluorophenyl)-2-(4-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.