1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 5995-95-9) is a chemical compound with molecular formula C14H13FN4O2 and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: Geneserine, monopicrate, ChemDiv1_022241, BAS 01381212, BIM-0001483.P001, 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H13FN4O2 |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 0.6211 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.10226 |
| Heavy Atoms | 21 |
| Complexity | 934.4929 |
Chemical Identifiers
| CAS Number | 5995-95-9 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)F |
Product Overview
1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 5995-95-9), with molecular formula C14H13FN4O2 and molecular weight 288.10 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.6211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 3 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 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 5995-95-9.
What is the molecular formula of 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C14H13FN4O2.
What is the molecular weight of 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 288.10 g/mol.
Where can I buy 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.