6L-042
TL;DR: 6L-042 (CAS 318949-21-2) is a chemical compound with molecular formula C21H11ClF5N3O3 and molecular weight 483.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-chloro-6-fluorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylate
Also Known As: 6L-042, methyl 3-(2-chloro-6-fluorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxylate, methyl 3-(2-chloro-6-fluorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylate, methyl 3-(2-chloro-6-fluorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-isoxazolecarboxylate, methyl3-(2-chloro-6-fluorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxylate
| Molecular Formula | C21H11ClF5N3O3 |
|---|---|
| Molecular Weight | 483.04 g/mol |
| LogP | 5.9313 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.04092 |
| Heavy Atoms | 33 |
| Complexity | 1326.1769 |
Chemical Identifiers
| CAS Number | 318949-21-2 |
|---|---|
| SMILES | COC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)F)C3=CN(N=C3C(F)(F)F)C4=CC=C(C=C4)F |
Product Overview
6L-042 (CAS 318949-21-2), with molecular formula C21H11ClF5N3O3 and molecular weight 483.04 g/mol. IUPAC: methyl 3-(2-chloro-6-fluorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 6L-042
Property Insights of 6L-042
The XLogP value of 5.9313 indicates that 6L-042 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-042. Following Lipinski's Rule of Five, 6L-042 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-042?
The CAS number of 6L-042 is 318949-21-2.
What is the molecular formula of 6L-042?
The molecular formula of 6L-042 is C21H11ClF5N3O3.
What is the molecular weight of 6L-042?
The molecular weight of 6L-042 is 483.04 g/mol.
Where can I buy 6L-042?
You can request a quote for 6L-042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6L-042?
Yes, KEHONG BIO provides custom synthesis services for 6L-042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.