![4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one structure](/static/products/374/374095-98-4.png)
4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
TL;DR: 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one (CAS 374095-98-4) is a chemical compound with molecular formula C34H34N4OS and molecular weight 546.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-benzyl-16-[(2,4-dimethylphenyl)methylsulfanyl]spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
Also Known As: 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 4-benzyl-1-[(2,4-dimethylbenzyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C34H34N4OS |
|---|---|
| Molecular Weight | 546.25 g/mol |
| LogP | 7.27344 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 546.24536 |
| Heavy Atoms | 40 |
| Complexity | 1779.8147 |
Chemical Identifiers
| CAS Number | 374095-98-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)CSC2=NN=C3N2C4=C(C(=O)N3CC5=CC=CC=C5)C6(CCCCC6)CC7=CC=CC=C74)C |
Product Overview
4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one (CAS 374095-98-4), with molecular formula C34H34N4OS and molecular weight 546.25 g/mol. IUPAC: 12-benzyl-16-[(2,4-dimethylphenyl)methylsulfanyl]spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one.
Chemical Property Profile of 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Property Insights of 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
The XLogP value of 7.27344 indicates that 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
The CAS number of 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is 374095-98-4.
What is the molecular formula of 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
The molecular formula of 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is C34H34N4OS.
What is the molecular weight of 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
The molecular weight of 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is 546.25 g/mol.
Where can I buy 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
You can request a quote for 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-1-((2,4-dimethylbenzyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.