![1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one structure](/static/products/896/896798-44-0.png)
1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
TL;DR: 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one (CAS 896798-44-0) is a chemical compound with molecular formula C23H19FN6OS and molecular weight 446.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone
Also Known As: 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one, 1-(4-fluorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone, 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}thio)ethanone
| Molecular Formula | C23H19FN6OS |
|---|---|
| Molecular Weight | 446.13 g/mol |
| LogP | 4.13922 |
| Topological Polar Surface Area | 77.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.1325 |
| Heavy Atoms | 32 |
| Complexity | 1426.0189 |
Chemical Identifiers
| CAS Number | 896798-44-0 |
|---|---|
| SMILES | CC1=CN=CN1CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)C5=CC=C(C=C5)F |
Product Overview
1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one (CAS 896798-44-0), with molecular formula C23H19FN6OS and molecular weight 446.13 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Property Insights of 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
The XLogP value of 4.13922 indicates that 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one has 0 hydrogen bond donor(s) and 6 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 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one?
The CAS number of 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one is 896798-44-0.
What is the molecular formula of 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one?
The molecular formula of 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one is C23H19FN6OS.
What is the molecular weight of 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one?
The molecular weight of 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one is 446.13 g/mol.
Where can I buy 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one?
You can request a quote for 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.