6L-045
TL;DR: 6L-045 (CAS 318949-22-3) is a chemical compound with molecular formula C21H10Cl4F3N3O3 and molecular weight 548.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,6-dichlorophenyl)-5-[1-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylate
Also Known As: 6L-045, methyl 3-(2,6-dichlorophenyl)-5-[1-(2,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxylate, methyl 3-(2,6-dichlorophenyl)-5-[1-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylate, methyl 3-(2,6-dichlorophenyl)-5-[1-(2,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-isoxazolecarboxylate, methyl3-(2,6-dichlorophenyl)-5-[1-(2,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxylate
| Molecular Formula | C21H10Cl4F3N3O3 |
|---|---|
| Molecular Weight | 548.94 g/mol |
| LogP | 7.6133 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 548.9428 |
| Heavy Atoms | 34 |
| Complexity | 1395.9974 |
Chemical Identifiers
| CAS Number | 318949-22-3 |
|---|---|
| SMILES | COC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)C3=CN(N=C3C(F)(F)F)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
6L-045 (CAS 318949-22-3), with molecular formula C21H10Cl4F3N3O3 and molecular weight 548.94 g/mol. IUPAC: methyl 3-(2,6-dichlorophenyl)-5-[1-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 6L-045
Property Insights of 6L-045
The XLogP value of 7.6133 indicates that 6L-045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 6L-045. Following Lipinski's Rule of Five, 6L-045 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 6L-045?
The CAS number of 6L-045 is 318949-22-3.
What is the molecular formula of 6L-045?
The molecular formula of 6L-045 is C21H10Cl4F3N3O3.
What is the molecular weight of 6L-045?
The molecular weight of 6L-045 is 548.94 g/mol.
Where can I buy 6L-045?
You can request a quote for 6L-045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6L-045?
Yes, KEHONG BIO provides custom synthesis services for 6L-045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.