![2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one structure](/static/products/5369/536984-64-2.webp)
2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
TL;DR: 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one (CAS 536984-64-2) is a chemical compound with molecular formula C25H26N4O2S and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-9-(3-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one, F0576-0194, 2-(benzylthio)-9-(3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-benzylsulfanyl-9-(3-methoxyphenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 2-benzylsulfanyl-9-(3-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C25H26N4O2S |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 5.2371 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.17764 |
| Heavy Atoms | 32 |
| Complexity | 1199.6608 |
Chemical Identifiers
| CAS Number | 536984-64-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4)N2)C5=CC(=CC=C5)OC)C(=O)C1)C |
Product Overview
2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one (CAS 536984-64-2), with molecular formula C25H26N4O2S and molecular weight 446.18 g/mol. IUPAC: 2-benzylsulfanyl-9-(3-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
Property Insights of 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
The XLogP value of 5.2371 indicates that 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-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-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
The CAS number of 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one is 536984-64-2.
What is the molecular formula of 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
The molecular formula of 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one is C25H26N4O2S.
What is the molecular weight of 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
The molecular weight of 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one is 446.18 g/mol.
Where can I buy 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
You can request a quote for 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-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-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.