![4-benzyl-6,6-dimethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one structure](/static/products/848/848683-76-1.png)
4-benzyl-6,6-dimethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
TL;DR: 4-benzyl-6,6-dimethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 848683-76-1) is a chemical compound with molecular formula C25H26N4OS and molecular weight 430.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-benzyl-9,9-dimethyl-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-dimethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 4-benzyl-6,6-dimethyl-1-(propylthio)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
| Molecular Formula | C25H26N4OS |
|---|---|
| Molecular Weight | 430.18 g/mol |
| LogP | 4.9421 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.18274 |
| Heavy Atoms | 31 |
| Complexity | 1320.8573 |
Chemical Identifiers
| CAS Number | 848683-76-1 |
|---|---|
| SMILES | CCCSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CC=C4)C(CC5=CC=CC=C53)(C)C |
Product Overview
4-benzyl-6,6-dimethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 848683-76-1), with molecular formula C25H26N4OS and molecular weight 430.18 g/mol. IUPAC: 12-benzyl-9,9-dimethyl-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-dimethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Property Insights of 4-benzyl-6,6-dimethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
The XLogP value of 4.9421 indicates that 4-benzyl-6,6-dimethyl-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-dimethyl-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-dimethyl-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), 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-6,6-dimethyl-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-dimethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 848683-76-1.
What is the molecular formula of 4-benzyl-6,6-dimethyl-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-dimethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is C25H26N4OS.
What is the molecular weight of 4-benzyl-6,6-dimethyl-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-dimethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 430.18 g/mol.
Where can I buy 4-benzyl-6,6-dimethyl-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-dimethyl-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-dimethyl-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-dimethyl-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.