![3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one structure](/static/products/847/847382-30-3.png)
3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
TL;DR: 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (CAS 847382-30-3) is a chemical compound with molecular formula C23H22FN7O2 and molecular weight 447.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]triazolo[4,5-d]pyrimidin-7-one
Also Known As: 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 3-[(4-fluorophenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 3-[(4-fluorophenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]triazolo[4,5-d]pyrimidin-7-one, 3-(4-fluorobenzyl)-6-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 3-(4-fluorobenzyl)-6-[2-keto-2-(4-phenylpiperazino)ethyl]triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C23H22FN7O2 |
|---|---|
| Molecular Weight | 447.18 g/mol |
| LogP | 1.5242 |
| Topological Polar Surface Area | 89.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.18192 |
| Heavy Atoms | 33 |
| Complexity | 1326.6912 |
Chemical Identifiers
| CAS Number | 847382-30-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)N=NN4CC5=CC=C(C=C5)F |
Product Overview
3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (CAS 847382-30-3), with molecular formula C23H22FN7O2 and molecular weight 447.18 g/mol. IUPAC: 3-[(4-fluorophenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Property Insights of 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
The XLogP value of 1.5242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one. The TPSA of 89.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one has 0 hydrogen bond donor(s) and 6 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)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one?
The CAS number of 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one is 847382-30-3.
What is the molecular formula of 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one is C23H22FN7O2.
What is the molecular weight of 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one is 447.18 g/mol.
Where can I buy 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one 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)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorobenzyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.