![1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole structure](/static/products/896/896695-96-8.png)
1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole
TL;DR: 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole (CAS 896695-96-8) is a chemical compound with molecular formula C27H30N6S and molecular weight 470.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-tert-butylphenyl)methylsulfanyl]-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline
Also Known As: 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole, 5-[(4-tert-butylphenyl)methylsulfanyl]-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline, 5-[(4-tert-butylbenzyl)thio]-2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline
| Molecular Formula | C27H30N6S |
|---|---|
| Molecular Weight | 470.23 g/mol |
| LogP | 5.92334 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.22528 |
| Heavy Atoms | 34 |
| Complexity | 1456.8298 |
Chemical Identifiers
| CAS Number | 896695-96-8 |
|---|---|
| SMILES | CC1=CC(=NN1CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC5=CC=C(C=C5)C(C)(C)C)C |
Product Overview
1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole (CAS 896695-96-8), with molecular formula C27H30N6S and molecular weight 470.23 g/mol. IUPAC: 5-[(4-tert-butylphenyl)methylsulfanyl]-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline.
Chemical Property Profile of 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole
Property Insights of 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole
The XLogP value of 5.92334 indicates that 1-[2-(5-{[(4-tert-butylphenyl)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 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole. Following Lipinski's Rule of Five, 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole is 896695-96-8.
What is the molecular formula of 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole is C27H30N6S.
What is the molecular weight of 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole is 470.23 g/mol.
Where can I buy 1-[2-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-[2-(5-{[(4-tert-butylphenyl)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 1-[2-(5-{[(4-tert-butylphenyl)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 1-[2-(5-{[(4-tert-butylphenyl)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.