JKU 0422
TL;DR: JKU 0422 (CAS 107738-50-1) is a chemical compound with molecular formula C12H6Cl2F6N2S and molecular weight 393.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methyl-4-(trifluoromethylsulfanyl)pyrazole
Also Known As: JKU 0422, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methyl-4-(trifluoromethylsulfanyl)pyrazole, 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3-methyl-4-(trifluoromethylthio)-1H-pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methyl-4-[(trifluoromethyl)sulfanyl]-1H-pyrazole, 1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-3-methyl-4-((trifluoromethyl)thio)-1H-pyrazole
| Molecular Formula | C12H6Cl2F6N2S |
|---|---|
| Molecular Weight | 393.95 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.9533 |
| Heavy Atoms | 23 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 107738-50-1 |
|---|---|
| SMILES | CC1=NN(C=C1SC(F)(F)F)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl |
| InChIKey | OKAZDGJBWBMDEO-UHFFFAOYSA-N |
Product Overview
JKU 0422 (CAS 107738-50-1), with molecular formula C12H6Cl2F6N2S and molecular weight 393.95 g/mol. IUPAC: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methyl-4-(trifluoromethylsulfanyl)pyrazole.
Chemical Property Profile of JKU 0422
Property Insights of JKU 0422
The XLogP value of 6.2 indicates that JKU 0422 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, JKU 0422 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, JKU 0422 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of JKU 0422?
The CAS number of JKU 0422 is 107738-50-1.
What is the molecular formula of JKU 0422?
The molecular formula of JKU 0422 is C12H6Cl2F6N2S.
What is the molecular weight of JKU 0422?
The molecular weight of JKU 0422 is 393.95 g/mol.
Where can I buy JKU 0422?
You can request a quote for JKU 0422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JKU 0422?
Yes, KEHONG BIO provides custom synthesis services for JKU 0422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.