![2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one structure](/static/products/893/893772-00-4.png)
2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
TL;DR: 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one (CAS 893772-00-4) is a chemical compound with molecular formula C11H7ClN4OS and molecular weight 278.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-4-sulfanylidene-1,6-dihydropyrazolo[1,5-a][1,3,5]triazin-7-one
Also Known As: 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one, A4089/0174318, 2-(2-chlorophenyl)-4-sulfanylidene-1,6-dihydropyrazolo[1,5-a][1,3,5]triazin-7-one
| Molecular Formula | C11H7ClN4OS |
|---|---|
| Molecular Weight | 278.00 g/mol |
| LogP | 2.40059 |
| Topological Polar Surface Area | 65.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.0029 |
| Heavy Atoms | 18 |
| Complexity | 847.8608 |
Chemical Identifiers
| CAS Number | 893772-00-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(=S)N3C(=CC(=O)N3)N2)Cl |
Product Overview
2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one (CAS 893772-00-4), with molecular formula C11H7ClN4OS and molecular weight 278.00 g/mol. IUPAC: 2-(2-chlorophenyl)-4-sulfanylidene-1,6-dihydropyrazolo[1,5-a][1,3,5]triazin-7-one.
Chemical Property Profile of 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Property Insights of 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
The XLogP value of 2.40059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one. The TPSA of 65.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one. Following Lipinski's Rule of Five, 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one has 2 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 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one?
The CAS number of 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one is 893772-00-4.
What is the molecular formula of 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one?
The molecular formula of 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one is C11H7ClN4OS.
What is the molecular weight of 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one?
The molecular weight of 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one is 278.00 g/mol.
Where can I buy 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one?
You can request a quote for 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-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 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-chlorophenyl)-4-thioxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.