![5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one structure](/static/products/7247/724780-22-7.webp)
5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
TL;DR: 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CAS 724780-22-7) is a chemical compound with molecular formula C12H9ClN4OS and molecular weight 292.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: ChemDiv2_004914, BAS 07100588, IDI1_003629, 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 5-{[(4-chlorophenyl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
| Molecular Formula | C12H9ClN4OS |
|---|---|
| Molecular Weight | 292.02 g/mol |
| LogP | 2.3633 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.01855 |
| Heavy Atoms | 19 |
| Complexity | 765.2455 |
Chemical Identifiers
| CAS Number | 724780-22-7 |
|---|---|
| SMILES | C1=CC(=CC=C1SCC2=CC(=O)N3C(=N2)N=CN3)Cl |
Product Overview
5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CAS 724780-22-7), with molecular formula C12H9ClN4OS and molecular weight 292.02 g/mol. IUPAC: 5-[(4-chlorophenyl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Property Insights of 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
The XLogP value of 2.3633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has 1 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 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The CAS number of 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is 724780-22-7.
What is the molecular formula of 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The molecular formula of 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is C12H9ClN4OS.
What is the molecular weight of 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The molecular weight of 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is 292.02 g/mol.
Where can I buy 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
You can request a quote for 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chloro-phenylsulfanylmethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.