![2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one structure](/static/products/5369/536984-52-8.webp)
2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
TL;DR: 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one (CAS 536984-52-8) is a chemical compound with molecular formula C24H23N5O3S and molecular weight 461.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-6,6-dimethyl-9-(4-nitrophenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one, F0576-0190, 2-(benzylthio)-6,6-dimethyl-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(benzylthio)-6,6-dimethyl-9-(4-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-benzylsulfanyl-6,6-dimethyl-9-(4-nitrophenyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C24H23N5O3S |
|---|---|
| Molecular Weight | 461.15 g/mol |
| LogP | 5.1367 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.15216 |
| Heavy Atoms | 33 |
| Complexity | 1265.0116 |
Chemical Identifiers
| CAS Number | 536984-52-8 |
|---|---|
| SMILES | CC1(CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4)N2)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C1)C |
Product Overview
2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one (CAS 536984-52-8), with molecular formula C24H23N5O3S and molecular weight 461.15 g/mol. IUPAC: 2-benzylsulfanyl-6,6-dimethyl-9-(4-nitrophenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
Property Insights of 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
The XLogP value of 5.1367 indicates that 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-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 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one has 1 hydrogen bond donor(s) and 7 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)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
The CAS number of 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one is 536984-52-8.
What is the molecular formula of 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
The molecular formula of 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one is C24H23N5O3S.
What is the molecular weight of 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
The molecular weight of 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one is 461.15 g/mol.
Where can I buy 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one?
You can request a quote for 2-(benzylsulfanyl)-6,6-dimethyl-9-(4-nitrophenyl)-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)-6,6-dimethyl-9-(4-nitrophenyl)-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)-6,6-dimethyl-9-(4-nitrophenyl)-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.