6L-005
TL;DR: 6L-005 (CAS 318949-18-7) is a chemical compound with molecular formula C22H15ClF3N3O3 and molecular weight 461.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-chlorophenyl)-5-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylate
Also Known As: 6L-005, methyl 3-(2-chlorophenyl)-5-[1-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxylate, methyl 3-(2-chlorophenyl)-5-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylate, methyl 3-(2-chlorophenyl)-5-[1-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-isoxazolecarboxylate, methyl3-(2-chlorophenyl)-5-[1-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxylate
| Molecular Formula | C22H15ClF3N3O3 |
|---|---|
| Molecular Weight | 461.08 g/mol |
| LogP | 5.96152 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.0754 |
| Heavy Atoms | 32 |
| Complexity | 1293.9911 |
Chemical Identifiers
| CAS Number | 318949-18-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C=C(C(=N2)C(F)(F)F)C3=C(C(=NO3)C4=CC=CC=C4Cl)C(=O)OC |
Product Overview
6L-005 (CAS 318949-18-7), with molecular formula C22H15ClF3N3O3 and molecular weight 461.08 g/mol. IUPAC: methyl 3-(2-chlorophenyl)-5-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 6L-005
Property Insights of 6L-005
The XLogP value of 5.96152 indicates that 6L-005 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-005. Following Lipinski's Rule of Five, 6L-005 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-005?
The CAS number of 6L-005 is 318949-18-7.
What is the molecular formula of 6L-005?
The molecular formula of 6L-005 is C22H15ClF3N3O3.
What is the molecular weight of 6L-005?
The molecular weight of 6L-005 is 461.08 g/mol.
Where can I buy 6L-005?
You can request a quote for 6L-005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6L-005?
Yes, KEHONG BIO provides custom synthesis services for 6L-005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.