4F-061
TL;DR: 4F-061 (CAS 338418-85-2) is a chemical compound with molecular formula C13H11F3N4O3 and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-hydrazinyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
Also Known As: 4F-061, methyl 4-hydrazino-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarboxylate, methyl 4-hydrazinyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate, methyl 4-hydrazinyl-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxylate, methyl4-hydrazinyl-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxylate
| Molecular Formula | C13H11F3N4O3 |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 1.3235 |
| Topological Polar Surface Area | 99.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.07834 |
| Heavy Atoms | 23 |
| Complexity | 801.7822 |
Chemical Identifiers
| CAS Number | 338418-85-2 |
|---|---|
| SMILES | COC(=O)C1=NN(C(=O)C=C1NN)C2=CC=CC(=C2)C(F)(F)F |
Product Overview
4F-061 (CAS 338418-85-2), with molecular formula C13H11F3N4O3 and molecular weight 328.08 g/mol. IUPAC: methyl 4-hydrazinyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate.
Chemical Property Profile of 4F-061
Property Insights of 4F-061
The XLogP value of 1.3235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4F-061. The TPSA of 99.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4F-061. Following Lipinski's Rule of Five, 4F-061 has 2 hydrogen bond donor(s) and 6 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 4F-061?
The CAS number of 4F-061 is 338418-85-2.
What is the molecular formula of 4F-061?
The molecular formula of 4F-061 is C13H11F3N4O3.
What is the molecular weight of 4F-061?
The molecular weight of 4F-061 is 328.08 g/mol.
Where can I buy 4F-061?
You can request a quote for 4F-061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4F-061?
Yes, KEHONG BIO provides custom synthesis services for 4F-061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.