![4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one structure](/static/products/577/577986-12-0.png)
4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
TL;DR: 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 577986-12-0) is a chemical compound with molecular formula C27H30N4OS and molecular weight 458.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-benzyl-9,9-diethyl-16-propylsulfanyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaen-11-one
Also Known As: 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 4-benzyl-6,6-diethyl-1-(propylthio)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
| Molecular Formula | C27H30N4OS |
|---|---|
| Molecular Weight | 458.21 g/mol |
| LogP | 5.7223 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.21402 |
| Heavy Atoms | 33 |
| Complexity | 1352.0568 |
Chemical Identifiers
| CAS Number | 577986-12-0 |
|---|---|
| SMILES | CCCSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CC=C4)C(CC5=CC=CC=C53)(CC)CC |
Product Overview
4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 577986-12-0), with molecular formula C27H30N4OS and molecular weight 458.21 g/mol. IUPAC: 12-benzyl-9,9-diethyl-16-propylsulfanyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaen-11-one.
Chemical Property Profile of 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Property Insights of 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
The XLogP value of 5.7223 indicates that 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-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 52.19 Ų, 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-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-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-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-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The CAS number of 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 577986-12-0.
What is the molecular formula of 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The molecular formula of 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is C27H30N4OS.
What is the molecular weight of 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The molecular weight of 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 458.21 g/mol.
Where can I buy 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
You can request a quote for 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-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-6,6-diethyl-1-(propylsulfanyl)-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-6,6-diethyl-1-(propylsulfanyl)-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.