![2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol structure](/static/products/1444/144457-60-3.webp)
2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol
TL;DR: 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol (CAS 144457-60-3) is a chemical compound with molecular formula C16H16N4OS and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one
Also Known As: BAS 11215958, 2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol, 2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one, 2-(benzylthio)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one, 2-(phenylmethylthio)-4,5,6,7,8,10-hexahydro-1,2,4-triazolo[5,1-b]quinazolin-9- one
| Molecular Formula | C16H16N4OS |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.5887 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.1045 |
| Heavy Atoms | 22 |
| Complexity | 868.97833 |
Chemical Identifiers
| CAS Number | 144457-60-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)N3C(=N2)N=C(N3)SCC4=CC=CC=C4 |
Product Overview
2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol (CAS 144457-60-3), with molecular formula C16H16N4OS and molecular weight 312.10 g/mol. IUPAC: 2-benzylsulfanyl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one.
Chemical Property Profile of 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol
Property Insights of 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol
The XLogP value of 2.5887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol 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 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol?
The CAS number of 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol is 144457-60-3.
What is the molecular formula of 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol?
The molecular formula of 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol is C16H16N4OS.
What is the molecular weight of 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol?
The molecular weight of 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol is 312.10 g/mol.
Where can I buy 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol?
You can request a quote for 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.