![3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole structure](/static/products/6488/648859-80-7.webp)
3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole
TL;DR: 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole (CAS 648859-80-7) is a chemical compound with molecular formula C19H18ClF3N4O and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-5-[2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]-1,2,4-oxadiazole
Also Known As: 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole, 3-(4-tert-butylphenyl)-5-[2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]-1,2,4-oxadiazole
| Molecular Formula | C19H18ClF3N4O |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 5.6102 |
| Topological Polar Surface Area | 56.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.11212 |
| Heavy Atoms | 28 |
| Complexity | 1011.46124 |
Chemical Identifiers
| CAS Number | 648859-80-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)C=CC3=C(N(N=C3C(F)(F)F)C)Cl |
Product Overview
3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole (CAS 648859-80-7), with molecular formula C19H18ClF3N4O and molecular weight 410.11 g/mol. IUPAC: 3-(4-tert-butylphenyl)-5-[2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]-1,2,4-oxadiazole.
Chemical Property Profile of 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole
Property Insights of 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole
The XLogP value of 5.6102 indicates that 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.74 Ų, 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole 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 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole?
The CAS number of 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole is 648859-80-7.
What is the molecular formula of 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole?
The molecular formula of 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole is C19H18ClF3N4O.
What is the molecular weight of 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole?
The molecular weight of 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole is 410.11 g/mol.
Where can I buy 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole?
You can request a quote for 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(tert-butyl)phenyl]-5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.