![4-benzyl-1-((2-methylallyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one structure](/static/products/373/373376-91-1.png)
4-benzyl-1-((2-methylallyl)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-methylallyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one (CAS 373376-91-1) is a chemical compound with molecular formula C29H30N4OS and molecular weight 482.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-benzyl-16-(2-methylprop-2-enylsulfanyl)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-methylallyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 4-benzyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C29H30N4OS |
|---|---|
| Molecular Weight | 482.21 g/mol |
| LogP | 6.0325 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.21402 |
| Heavy Atoms | 35 |
| Complexity | 1478.0918 |
Chemical Identifiers
| CAS Number | 373376-91-1 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63 |
Product Overview
4-benzyl-1-((2-methylallyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one (CAS 373376-91-1), with molecular formula C29H30N4OS and molecular weight 482.21 g/mol. IUPAC: 12-benzyl-16-(2-methylprop-2-enylsulfanyl)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-methylallyl)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-methylallyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
The XLogP value of 6.0325 indicates that 4-benzyl-1-((2-methylallyl)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-methylallyl)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-methylallyl)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-methylallyl)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-methylallyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is 373376-91-1.
What is the molecular formula of 4-benzyl-1-((2-methylallyl)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-methylallyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is C29H30N4OS.
What is the molecular weight of 4-benzyl-1-((2-methylallyl)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-methylallyl)thio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is 482.21 g/mol.
Where can I buy 4-benzyl-1-((2-methylallyl)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-methylallyl)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-methylallyl)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-methylallyl)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.