2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
TL;DR: 2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide (CAS 900010-40-4) is a chemical compound with molecular formula C16H16FN5O2 and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
Also Known As: 2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide, VU0495586-1, 2-butyl-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
| Molecular Formula | C16H16FN5O2 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 1.6894 |
| Topological Polar Surface Area | 106.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.1288 |
| Heavy Atoms | 24 |
| Complexity | 976.2485 |
Chemical Identifiers
| CAS Number | 900010-40-4 |
|---|---|
| SMILES | CCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=CC=C3F)C(=O)N |
Product Overview
2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide (CAS 900010-40-4), with molecular formula C16H16FN5O2 and molecular weight 329.13 g/mol. IUPAC: 2-butyl-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide.
Chemical Property Profile of 2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Property Insights of 2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
The XLogP value of 1.6894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-butyl-9-(2-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-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide. Following Lipinski's Rule of Five, 2-butyl-9-(2-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-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The CAS number of 2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is 900010-40-4.
What is the molecular formula of 2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The molecular formula of 2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is C16H16FN5O2.
What is the molecular weight of 2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The molecular weight of 2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is 329.13 g/mol.
Where can I buy 2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
You can request a quote for 2-butyl-9-(2-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-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-butyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.