Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate
TL;DR: Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate (CAS 478246-14-9) is a chemical compound with molecular formula C17H15FN4O3 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-4-[2-(dimethylamino)ethenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate
Also Known As: Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate, methyl 5-cyano-4-[(E)-2-(dimethylamino)ethenyl]-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate, methyl 5-cyano-4-[2-(dimethylamino)ethenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate
| Molecular Formula | C17H15FN4O3 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | 1.56218 |
| Topological Polar Surface Area | 88.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.11282 |
| Heavy Atoms | 25 |
| Complexity | 924.63477 |
Chemical Identifiers
| CAS Number | 478246-14-9 |
|---|---|
| SMILES | CN(C)C=CC1=C(C(=O)N(N=C1C(=O)OC)C2=CC=C(C=C2)F)C#N |
Product Overview
Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate (CAS 478246-14-9), with molecular formula C17H15FN4O3 and molecular weight 342.11 g/mol. IUPAC: methyl 5-cyano-4-[2-(dimethylamino)ethenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate.
Chemical Property Profile of Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate
Property Insights of Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate
The XLogP value of 1.56218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate. The TPSA of 88.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate. Following Lipinski's Rule of Five, Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate has 0 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 Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate?
The CAS number of Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate is 478246-14-9.
What is the molecular formula of Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate?
The molecular formula of Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate is C17H15FN4O3.
What is the molecular weight of Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate?
The molecular weight of Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate is 342.11 g/mol.
Where can I buy Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate?
You can request a quote for Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-cyano-4-(2-dimethylaminoethenyl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.