![6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/879/879051-07-7.png)
6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 879051-07-7) is a chemical compound with molecular formula C20H17ClN4O and molecular weight 364.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-2-[(4-chlorophenyl)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: ASN 15232180, BRD-K14359151-001-01-4, 6-benzyl-2-(4-chlorobenzyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 6-Benzyl-2-(4-chloro-benzyl)-5-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C20H17ClN4O |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 3.56102 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.1091 |
| Heavy Atoms | 26 |
| Complexity | 1114.4727 |
Chemical Identifiers
| CAS Number | 879051-07-7 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)CC3=CC=C(C=C3)Cl)CC4=CC=CC=C4 |
Product Overview
6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 879051-07-7), with molecular formula C20H17ClN4O and molecular weight 364.11 g/mol. IUPAC: 6-benzyl-2-[(4-chlorophenyl)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 3.56102 indicates that 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. Following Lipinski's Rule of Five, 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one has 1 hydrogen bond donor(s) and 3 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-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 879051-07-7.
What is the molecular formula of 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is C20H17ClN4O.
What is the molecular weight of 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 364.11 g/mol.
Where can I buy 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-benzyl-2-(4-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.