3F-054
TL;DR: 3F-054 (CAS 338405-39-3) is a chemical compound with molecular formula C19H12ClF3N2O4 and molecular weight 424.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-chlorophenyl)-6-oxo-4-[3-(trifluoromethyl)phenoxy]pyridazine-3-carboxylate
Also Known As: 3F-054, Methyl 1-(4-chlorophenyl)-6-oxo-4-[3-(trifluoromethyl)phenoxy]pyridazine-3-carboxylate, methyl 1-(4-chlorophenyl)-6-oxo-4-[3-(trifluoromethyl)phenoxy]-1,6-dihydro-3-pyridazinecarboxylate, methyl 1-(4-chlorophenyl)-6-oxo-4-[3-(trifluoromethyl)phenoxy]-1,6-dihydropyridazine-3-carboxylate, methyl1-(4-chlorophenyl)-6-oxo-4-[3-(trifluoromethyl)phenoxy]-1,6-dihydropyridazine-3-carboxylate
| Molecular Formula | C19H12ClF3N2O4 |
|---|---|
| Molecular Weight | 424.04 g/mol |
| LogP | 4.4836 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.04376 |
| Heavy Atoms | 29 |
| Complexity | 1111.6725 |
Chemical Identifiers
| CAS Number | 338405-39-3 |
|---|---|
| SMILES | COC(=O)C1=NN(C(=O)C=C1OC2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)Cl |
Product Overview
3F-054 (CAS 338405-39-3), with molecular formula C19H12ClF3N2O4 and molecular weight 424.04 g/mol. IUPAC: methyl 1-(4-chlorophenyl)-6-oxo-4-[3-(trifluoromethyl)phenoxy]pyridazine-3-carboxylate.
Chemical Property Profile of 3F-054
Property Insights of 3F-054
The XLogP value of 4.4836 indicates that 3F-054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3F-054. Following Lipinski's Rule of Five, 3F-054 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3F-054?
The CAS number of 3F-054 is 338405-39-3.
What is the molecular formula of 3F-054?
The molecular formula of 3F-054 is C19H12ClF3N2O4.
What is the molecular weight of 3F-054?
The molecular weight of 3F-054 is 424.04 g/mol.
Where can I buy 3F-054?
You can request a quote for 3F-054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3F-054?
Yes, KEHONG BIO provides custom synthesis services for 3F-054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.