![2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/488/488707-57-9.png)
2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 488707-57-9) is a chemical compound with molecular formula C12H9ClN4O and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: BAS 06172188, 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, AE-848/41538922, [1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 2-(4-chlorophenyl)-5-methyl-, 2-(4-Chloro-phenyl)-5-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C12H9ClN4O |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.04648 |
| Heavy Atoms | 18 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 488707-57-9 |
|---|---|
| SMILES | CC1=CC(=O)N2C(=N1)N=C(N2)C3=CC=C(C=C3)Cl |
| InChIKey | GDAAHWSSFNAVBG-UHFFFAOYSA-N |
Product Overview
2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 488707-57-9), with molecular formula C12H9ClN4O and molecular weight 260.05 g/mol. IUPAC: 2-(4-chlorophenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. With a topological polar surface area (TPSA) of 57.1 Ų, 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one has 1 hydrogen bond donor(s) and 2 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 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 488707-57-9.
What is the molecular formula of 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is C12H9ClN4O.
What is the molecular weight of 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 260.05 g/mol.
Where can I buy 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 2-(4-chlorophenyl)-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 2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-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.