2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
TL;DR: 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide (CAS 869068-99-5) is a chemical compound with molecular formula C18H11ClFN5O2 and molecular weight 383.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
Also Known As: 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide, AB00676469-01, F1848-0033, 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
| Molecular Formula | C18H11ClFN5O2 |
|---|---|
| Molecular Weight | 383.06 g/mol |
| LogP | 2.6672 |
| Topological Polar Surface Area | 106.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.05853 |
| Heavy Atoms | 27 |
| Complexity | 1247.0797 |
Chemical Identifiers
| CAS Number | 869068-99-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)F)C(=O)N |
Product Overview
2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide (CAS 869068-99-5), with molecular formula C18H11ClFN5O2 and molecular weight 383.06 g/mol. IUPAC: 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide.
Chemical Property Profile of 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Property Insights of 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
The XLogP value of 2.6672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide. The TPSA of 106.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide. Following Lipinski's Rule of Five, 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-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 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The CAS number of 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is 869068-99-5.
What is the molecular formula of 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The molecular formula of 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is C18H11ClFN5O2.
What is the molecular weight of 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The molecular weight of 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is 383.06 g/mol.
Where can I buy 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
You can request a quote for 2-(3-chlorophenyl)-9-(4-fluorophenyl)-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 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-chlorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.