![6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/878/878994-01-5.png)
6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 878994-01-5) is a chemical compound with molecular formula C17H20N4O and molecular weight 296.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: BAS 14594195, 6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl-6-[4-(propan-2-yl)benzyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 2,5-dimethyl-6-[4-(propan-2-yl)benzyl][1,2,4]triazolo[1,5-a]pyrimidin-7-ol
| Molecular Formula | C17H20N4O |
|---|---|
| Molecular Weight | 296.16 g/mol |
| LogP | 2.74864 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.1637 |
| Heavy Atoms | 22 |
| Complexity | 872.0506 |
Chemical Identifiers
| CAS Number | 878994-01-5 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)C)CC3=CC=C(C=C3)C(C)C |
Product Overview
6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 878994-01-5), with molecular formula C17H20N4O and molecular weight 296.16 g/mol. IUPAC: 2,5-dimethyl-6-[(4-propan-2-ylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 2.74864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. Following Lipinski's Rule of Five, 6-(4-isopropylbenzyl)-2,5-dimethyl[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-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 878994-01-5.
What is the molecular formula of 6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is C17H20N4O.
What is the molecular weight of 6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 296.16 g/mol.
Where can I buy 6-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 6-(4-isopropylbenzyl)-2,5-dimethyl[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-(4-isopropylbenzyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-isopropylbenzyl)-2,5-dimethyl[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.