AB00434716-09
TL;DR: AB00434716-09 (CAS 863018-52-4) is a chemical compound with molecular formula C23H22ClN7O2 and molecular weight 463.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]triazolo[4,5-d]pyrimidin-7-one
Also Known As: AB00434716-09, 3-(4-chlorobenzyl)-6-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, F0656-0427, 3-[(4-chlorophenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]triazolo[4,5-d]pyrimidin-7-one, 3-[(4-chlorophenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C23H22ClN7O2 |
|---|---|
| Molecular Weight | 463.15 g/mol |
| LogP | 2.0385 |
| Topological Polar Surface Area | 89.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.15234 |
| Heavy Atoms | 33 |
| Complexity | 1326.6912 |
Chemical Identifiers
| CAS Number | 863018-52-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)N=NN4CC5=CC=C(C=C5)Cl |
Product Overview
AB00434716-09 (CAS 863018-52-4), with molecular formula C23H22ClN7O2 and molecular weight 463.15 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of AB00434716-09
Property Insights of AB00434716-09
The XLogP value of 2.0385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00434716-09. The TPSA of 89.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00434716-09. Following Lipinski's Rule of Five, AB00434716-09 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 AB00434716-09?
The CAS number of AB00434716-09 is 863018-52-4.
What is the molecular formula of AB00434716-09?
The molecular formula of AB00434716-09 is C23H22ClN7O2.
What is the molecular weight of AB00434716-09?
The molecular weight of AB00434716-09 is 463.15 g/mol.
Where can I buy AB00434716-09?
You can request a quote for AB00434716-09 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00434716-09?
Yes, KEHONG BIO provides custom synthesis services for AB00434716-09 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.