7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 333755-22-9) is a chemical compound with molecular formula C18H21FN6O2 and molecular weight 372.17 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-piperazin-1-ylpurine-2,6-dione
Also Known As: BAS 02999169, 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0887-0105, 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione, 7-(4-Fluoro-benzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C18H21FN6O2 |
|---|---|
| Molecular Weight | 372.17 g/mol |
| LogP | 0.0307 |
| Topological Polar Surface Area | 77.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.171 |
| Heavy Atoms | 27 |
| Complexity | 1106.0579 |
Chemical Identifiers
| CAS Number | 333755-22-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=C(C=C4)F |
Product Overview
7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 333755-22-9), with molecular formula C18H21FN6O2 and molecular weight 372.17 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.0307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 77.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 5 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-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 333755-22-9.
What is the molecular formula of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is C18H21FN6O2.
What is the molecular weight of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione is 372.17 g/mol.
Where can I buy 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-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-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-fluorobenzyl)-1,3-dimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.