![5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole structure](/static/products/6488/648859-77-2.webp)
5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
TL;DR: 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CAS 648859-77-2) is a chemical compound with molecular formula C16H9ClF6N4O and molecular weight 422.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Also Known As: 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, 5-[2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
| Molecular Formula | C16H9ClF6N4O |
|---|---|
| Molecular Weight | 422.04 g/mol |
| LogP | 5.3315 |
| Topological Polar Surface Area | 56.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.0369 |
| Heavy Atoms | 28 |
| Complexity | 1017.417 |
Chemical Identifiers
| CAS Number | 648859-77-2 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=CC2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F)Cl |
Product Overview
5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CAS 648859-77-2), with molecular formula C16H9ClF6N4O and molecular weight 422.04 g/mol. IUPAC: 5-[2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
Chemical Property Profile of 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Property Insights of 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
The XLogP value of 5.3315 indicates that 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-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, 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-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 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The CAS number of 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is 648859-77-2.
What is the molecular formula of 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The molecular formula of 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is C16H9ClF6N4O.
What is the molecular weight of 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The molecular weight of 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is 422.04 g/mol.
Where can I buy 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
You can request a quote for 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-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 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.