![2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one structure](/static/products/7745/774561-87-4.webp)
2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
TL;DR: 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CAS 774561-87-4) is a chemical compound with molecular formula C14H14N4O2S and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: BAS 11215960, 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 2-(benzylsulfanyl)-5-(methoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-(benzylsulfanyl)-5-(methoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 2-(benzylthio)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
| Molecular Formula | C14H14N4O2S |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 1.8563 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.08374 |
| Heavy Atoms | 21 |
| Complexity | 797.5893 |
Chemical Identifiers
| CAS Number | 774561-87-4 |
|---|---|
| SMILES | COCC1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3 |
Product Overview
2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CAS 774561-87-4), with molecular formula C14H14N4O2S and molecular weight 302.08 g/mol. IUPAC: 2-benzylsulfanyl-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Property Insights of 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
The XLogP value of 1.8563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The CAS number of 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is 774561-87-4.
What is the molecular formula of 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The molecular formula of 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is C14H14N4O2S.
What is the molecular weight of 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The molecular weight of 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is 302.08 g/mol.
Where can I buy 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
You can request a quote for 2-Benzylsulfanyl-5-methoxymethyl-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 2-Benzylsulfanyl-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylsulfanyl-5-methoxymethyl-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.