7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione (CAS 370076-03-2) is a chemical compound with molecular formula C17H15FN4O3 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-prop-2-ynoxypurine-2,6-dione
Also Known As: 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione, 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-prop-2-ynoxypurine-2,6-dione, 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H15FN4O3 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | 0.6331 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.11282 |
| Heavy Atoms | 25 |
| Complexity | 1100.5892 |
Chemical Identifiers
| CAS Number | 370076-03-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC#C)CC3=CC=C(C=C3)F |
Product Overview
7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione (CAS 370076-03-2), with molecular formula C17H15FN4O3 and molecular weight 342.11 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-prop-2-ynoxypurine-2,6-dione.
Chemical Property Profile of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.6331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione has 0 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 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione is 370076-03-2.
What is the molecular formula of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione is C17H15FN4O3.
What is the molecular weight of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione is 342.11 g/mol.
Where can I buy 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-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 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-yn-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.