![2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/896/896667-98-4.png)
2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 896667-98-4) is a chemical compound with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-(3-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-(benzylthio)-5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 2-benzylsulfanyl-5-(3-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 2-(BENZYLSULFANYL)-5-(3-METHOXYPHENYL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-ONE
| Molecular Formula | C19H16N4O2S |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 3.3855 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.0994 |
| Heavy Atoms | 26 |
| Complexity | 1105.4354 |
Chemical Identifiers
| CAS Number | 896667-98-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=CC(=O)N3C(=N2)N=C(N3)SCC4=CC=CC=C4 |
Product Overview
2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 896667-98-4), with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol. IUPAC: 2-benzylsulfanyl-5-(3-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 3.3855 indicates that 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[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 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one has 1 hydrogen bond donor(s) and 5 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-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 896667-98-4.
What is the molecular formula of 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is C19H16N4O2S.
What is the molecular weight of 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 364.10 g/mol.
Where can I buy 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[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-(benzylsulfanyl)-5-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-5-(3-methoxyphenyl)[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.