![6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one structure](/static/products/838/838880-45-8.png)
6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
TL;DR: 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one (CAS 838880-45-8) is a chemical compound with molecular formula C20H22N4OS and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-ethyl-9-methyl-13-(2-methylprop-2-enylsulfanyl)-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-11-one
Also Known As: 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one, 6-ethyl-6-methyl-9-[(2-methyl-2-propen-1-yl)thio]-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one, 6-ethyl-6-methyl-9-[(2-methylprop-2-en-1-yl)sulfanyl]-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7-ol
| Molecular Formula | C20H22N4OS |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 3.9766 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.15143 |
| Heavy Atoms | 26 |
| Complexity | 1081.095 |
Chemical Identifiers
| CAS Number | 838880-45-8 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N4C(=N3)NN=C4SCC(=C)C)C |
Product Overview
6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one (CAS 838880-45-8), with molecular formula C20H22N4OS and molecular weight 366.15 g/mol. IUPAC: 9-ethyl-9-methyl-13-(2-methylprop-2-enylsulfanyl)-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-11-one.
Chemical Property Profile of 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
Property Insights of 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
The XLogP value of 3.9766 indicates that 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one. Following Lipinski's Rule of Five, 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
The CAS number of 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is 838880-45-8.
What is the molecular formula of 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
The molecular formula of 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is C20H22N4OS.
What is the molecular weight of 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
The molecular weight of 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is 366.15 g/mol.
Where can I buy 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
You can request a quote for 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-ethyl-6-methyl-9-((2-methylallyl)thio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.