![1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one structure](/static/products/3758/375841-53-5.webp)
1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
TL;DR: 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one (CAS 375841-53-5) is a chemical compound with molecular formula C27H26N4OS and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(2-methylprop-2-enylsulfanyl)-12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclopentane]-11-one
Also Known As: 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one, 1-[(2-methylprop-2-en-1-yl)sulfanyl]-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
| Molecular Formula | C27H26N4OS |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 5.5833 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.18274 |
| Heavy Atoms | 33 |
| Complexity | 1444.5055 |
Chemical Identifiers
| CAS Number | 375841-53-5 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C2N1C3=C(C(=O)N2C4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63 |
Product Overview
1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one (CAS 375841-53-5), with molecular formula C27H26N4OS and molecular weight 454.18 g/mol. IUPAC: 16-(2-methylprop-2-enylsulfanyl)-12-phenylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclopentane]-11-one.
Chemical Property Profile of 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
Property Insights of 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
The XLogP value of 5.5833 indicates that 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-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, 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-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 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one?
The CAS number of 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one is 375841-53-5.
What is the molecular formula of 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one?
The molecular formula of 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one is C27H26N4OS.
What is the molecular weight of 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one?
The molecular weight of 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one is 454.18 g/mol.
Where can I buy 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one?
You can request a quote for 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-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 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-methylallyl)thio)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.