![3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione structure](/static/products/862/862488-40-2.png)
3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
TL;DR: 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 862488-40-2) is a chemical compound with molecular formula C25H26FN5O2 and molecular weight 447.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, F3235-1153, 3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-(4-fluorobenzyl)-1,7-dimethyl-9-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
| Molecular Formula | C25H26FN5O2 |
|---|---|
| Molecular Weight | 447.21 g/mol |
| LogP | 2.7829 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.20706 |
| Heavy Atoms | 33 |
| Complexity | 1419.9474 |
Chemical Identifiers
| CAS Number | 862488-40-2 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)F)CCC5=CC=CC=C5 |
Product Overview
3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (CAS 862488-40-2), with molecular formula C25H26FN5O2 and molecular weight 447.21 g/mol. IUPAC: 3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Property Insights of 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
The XLogP value of 2.7829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-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 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The CAS number of 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 862488-40-2.
What is the molecular formula of 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The molecular formula of 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is C25H26FN5O2.
What is the molecular weight of 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
The molecular weight of 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione is 447.21 g/mol.
Where can I buy 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
You can request a quote for 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorobenzyl)-1,7-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.