![2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one structure](/static/products/5369/536981-02-9.webp)
2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
TL;DR: 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 536981-02-9) is a chemical compound with molecular formula C23H22N4O2S and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one, 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 2-(benzylthio)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(benzylthio)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C23H22N4O2S |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 4.601 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.14636 |
| Heavy Atoms | 30 |
| Complexity | 1105.9916 |
Chemical Identifiers
| CAS Number | 536981-02-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=NC(=NN24)SCC5=CC=CC=C5 |
Product Overview
2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 536981-02-9), with molecular formula C23H22N4O2S and molecular weight 418.15 g/mol. IUPAC: 2-benzylsulfanyl-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Property Insights of 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
The XLogP value of 4.601 indicates that 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one has 1 hydrogen bond donor(s) and 6 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)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The CAS number of 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 536981-02-9.
What is the molecular formula of 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular formula of 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is C23H22N4O2S.
What is the molecular weight of 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular weight of 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 418.15 g/mol.
Where can I buy 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
You can request a quote for 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(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)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.