![6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one structure](/static/products/892/892480-19-2.png)
6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
TL;DR: 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one (CAS 892480-19-2) is a chemical compound with molecular formula C18H13Cl2N5O and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-one
Also Known As: F0656-0721, 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one, 6-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 6-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C18H13Cl2N5O |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 3.64072 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.0497 |
| Heavy Atoms | 26 |
| Complexity | 1164.6342 |
Chemical Identifiers
| CAS Number | 892480-19-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC4=CC(=C(C=C4)Cl)Cl)N=N2 |
Product Overview
6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one (CAS 892480-19-2), with molecular formula C18H13Cl2N5O and molecular weight 385.05 g/mol. IUPAC: 6-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
Property Insights of 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
The XLogP value of 3.64072 indicates that 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one 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 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
The CAS number of 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is 892480-19-2.
What is the molecular formula of 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
The molecular formula of 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is C18H13Cl2N5O.
What is the molecular weight of 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
The molecular weight of 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one is 385.05 g/mol.
Where can I buy 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
You can request a quote for 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(3,4-dichlorobenzyl)-3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.