![4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole structure](/static/products/896/896698-89-8.png)
4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole
TL;DR: 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole (CAS 896698-89-8) is a chemical compound with molecular formula C23H21FN6S and molecular weight 432.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(2-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
Also Known As: 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole, 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(2-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline, 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(2-fluorobenzyl)thio][1,2,4]triazolo[1,5-c]quinazoline
| Molecular Formula | C23H21FN6S |
|---|---|
| Molecular Weight | 432.15 g/mol |
| LogP | 4.83404 |
| Topological Polar Surface Area | 71.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.15326 |
| Heavy Atoms | 31 |
| Complexity | 1370.3889 |
Chemical Identifiers
| CAS Number | 896698-89-8 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC5=CC=CC=C5F |
Product Overview
4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole (CAS 896698-89-8), with molecular formula C23H21FN6S and molecular weight 432.15 g/mol. IUPAC: 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[(2-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline.
Chemical Property Profile of 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole
Property Insights of 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole
The XLogP value of 4.83404 indicates that 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole. Following Lipinski's Rule of Five, 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole has 1 hydrogen bond donor(s) and 5 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-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
The CAS number of 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole is 896698-89-8.
What is the molecular formula of 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
The molecular formula of 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole is C23H21FN6S.
What is the molecular weight of 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
The molecular weight of 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole is 432.15 g/mol.
Where can I buy 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
You can request a quote for 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.