7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 578701-69-6) is a chemical compound with molecular formula C20H24FN5O2 and molecular weight 385.19 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-(3-methylpiperidin-1-yl)purine-2,6-dione
Also Known As: 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(3-methyl-1-piperidyl)purine-2,6-dione, 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione, 7-(4-FLUOROBENZYL)-1,3-DIMETHYL-8-(3-METHYLPIPERIDINO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C20H24FN5O2 |
|---|---|
| Molecular Weight | 385.19 g/mol |
| LogP | 1.8574 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.1914 |
| Heavy Atoms | 28 |
| Complexity | 1142.588 |
Chemical Identifiers
| CAS Number | 578701-69-6 |
|---|---|
| SMILES | CC1CCCN(C1)C2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C |
Product Overview
7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione (CAS 578701-69-6), with molecular formula C20H24FN5O2 and molecular weight 385.19 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione.
Chemical Property Profile of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.8574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-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-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 578701-69-6.
What is the molecular formula of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is C20H24FN5O2.
What is the molecular weight of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione is 385.19 g/mol.
Where can I buy 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-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-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-fluorobenzyl)-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.