8L-558S
TL;DR: 8L-558S (CAS 477762-27-9) is a chemical compound with molecular formula C19H10Cl3F6N3O and molecular weight 514.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl) 5-chloro-1-methyl-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboximidate
Also Known As: 8L-558S, 2,4-dichlorophenyl 5-chloro-1-methyl-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboximidoate, (2,4-dichlorophenyl) 5-chloro-1-methyl-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboximidate, (Z)-(2,4-dichlorophenyl 5-chloro-1-methyl-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboximidate), (Z)-(2,4-dichlorophenyl5-chloro-1-methyl-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboximidate)
| Molecular Formula | C19H10Cl3F6N3O |
|---|---|
| Molecular Weight | 514.98 g/mol |
| LogP | 7.5752 |
| Topological Polar Surface Area | 39.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 514.9794 |
| Heavy Atoms | 32 |
| Complexity | 1188.0269 |
Chemical Identifiers
| CAS Number | 477762-27-9 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C(=NC2=CC=CC(=C2)C(F)(F)F)OC3=C(C=C(C=C3)Cl)Cl)Cl |
Product Overview
8L-558S (CAS 477762-27-9), with molecular formula C19H10Cl3F6N3O and molecular weight 514.98 g/mol. IUPAC: (2,4-dichlorophenyl) 5-chloro-1-methyl-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboximidate.
Chemical Property Profile of 8L-558S
Property Insights of 8L-558S
The XLogP value of 7.5752 indicates that 8L-558S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.41 Ų, 8L-558S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8L-558S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8L-558S?
The CAS number of 8L-558S is 477762-27-9.
What is the molecular formula of 8L-558S?
The molecular formula of 8L-558S is C19H10Cl3F6N3O.
What is the molecular weight of 8L-558S?
The molecular weight of 8L-558S is 514.98 g/mol.
Where can I buy 8L-558S?
You can request a quote for 8L-558S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8L-558S?
Yes, KEHONG BIO provides custom synthesis services for 8L-558S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.