![4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one structure](/static/products/577/577987-41-8.png)
4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
TL;DR: 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 577987-41-8) is a chemical compound with molecular formula C23H22N4OS and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-benzyl-9-ethyl-9-methyl-16-sulfanylidene-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaen-11-one
Also Known As: 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 4-benzyl-6-ethyl-6-methyl-1-sulfanyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
| Molecular Formula | C23H22N4OS |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | 4.49269 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.15143 |
| Heavy Atoms | 29 |
| Complexity | 1349.0583 |
Chemical Identifiers
| CAS Number | 577987-41-8 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NNC(=S)N34)CC5=CC=CC=C5)C |
Product Overview
4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 577987-41-8), with molecular formula C23H22N4OS and molecular weight 402.15 g/mol. IUPAC: 12-benzyl-9-ethyl-9-methyl-16-sulfanylidene-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaen-11-one.
Chemical Property Profile of 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Property Insights of 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
The XLogP value of 4.49269 indicates that 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.09 Ų, 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one has 1 hydrogen bond donor(s) and 3 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 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The CAS number of 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 577987-41-8.
What is the molecular formula of 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The molecular formula of 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is C23H22N4OS.
What is the molecular weight of 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The molecular weight of 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 402.15 g/mol.
Where can I buy 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
You can request a quote for 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-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-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-6-ethyl-1-mercapto-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.