![methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate structure](/static/products/4782/478246-16-1.webp)
methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate
TL;DR: methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate (CAS 478246-16-1) is a chemical compound with molecular formula C22H17FN4O4 and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-1-(4-fluorophenyl)-4-[2-(4-methoxyanilino)ethenyl]-6-oxopyridazine-3-carboxylate
Also Known As: methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate, methyl 5-cyano-1-(4-fluorophenyl)-4-[2-(4-methoxyanilino)ethenyl]-6-oxopyridazine-3-carboxylate
| Molecular Formula | C22H17FN4O4 |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 3.12128 |
| Topological Polar Surface Area | 106.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.12338 |
| Heavy Atoms | 31 |
| Complexity | 1226.5962 |
Chemical Identifiers
| CAS Number | 478246-16-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC=CC2=C(C(=O)N(N=C2C(=O)OC)C3=CC=C(C=C3)F)C#N |
Product Overview
methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate (CAS 478246-16-1), with molecular formula C22H17FN4O4 and molecular weight 420.12 g/mol. IUPAC: methyl 5-cyano-1-(4-fluorophenyl)-4-[2-(4-methoxyanilino)ethenyl]-6-oxopyridazine-3-carboxylate.
Chemical Property Profile of methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate
Property Insights of methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate
The XLogP value of 3.12128 indicates that methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.24 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate. Following Lipinski's Rule of Five, methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate has 1 hydrogen bond donor(s) and 7 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-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
The CAS number of methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate is 478246-16-1.
What is the molecular formula of methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
The molecular formula of methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate is C22H17FN4O4.
What is the molecular weight of methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
The molecular weight of methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate is 420.12 g/mol.
Where can I buy methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
You can request a quote for methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate 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-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-cyano-1-(4-fluorophenyl)-4-[(E)-2-(4-methoxyanilino)ethenyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.