![12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one structure](/static/products/577/577765-13-0.png)
12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
TL;DR: 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one (CAS 577765-13-0) is a chemical compound with molecular formula C22H24N4OS and molecular weight 392.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-ethyl-9-methyl-17-prop-2-enyl-13-prop-2-enylsulfanyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-11-one
Also Known As: 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one, 6-ethyl-6-methyl-12-(prop-2-en-1-yl)-9-(prop-2-en-1-ylsulfanyl)-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
| Molecular Formula | C22H24N4OS |
|---|---|
| Molecular Weight | 392.17 g/mol |
| LogP | 4.2459 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.16708 |
| Heavy Atoms | 28 |
| Complexity | 1143.3796 |
Chemical Identifiers
| CAS Number | 577765-13-0 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N4C(=NN=C4SCC=C)N3CC=C)C |
Product Overview
12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one (CAS 577765-13-0), with molecular formula C22H24N4OS and molecular weight 392.17 g/mol. IUPAC: 9-ethyl-9-methyl-17-prop-2-enyl-13-prop-2-enylsulfanyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-11-one.
Chemical Property Profile of 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
Property Insights of 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
The XLogP value of 4.2459 indicates that 12-allyl-9-(allylthio)-6-ethyl-6-methyl-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. With a topological polar surface area (TPSA) of 52.19 Ų, 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one has 0 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 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
The CAS number of 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is 577765-13-0.
What is the molecular formula of 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
The molecular formula of 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is C22H24N4OS.
What is the molecular weight of 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
The molecular weight of 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is 392.17 g/mol.
Where can I buy 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
You can request a quote for 12-allyl-9-(allylthio)-6-ethyl-6-methyl-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 12-allyl-9-(allylthio)-6-ethyl-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
Yes, KEHONG BIO provides custom synthesis services for 12-allyl-9-(allylthio)-6-ethyl-6-methyl-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.