Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate
TL;DR: Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate (CAS 339018-13-2) is a chemical compound with molecular formula C14H10FN3O3 and molecular weight 287.07 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-methyl-6-oxopyridazine-3-carboxylate
Also Known As: Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate, 7M-931, Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate, methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxylate, Methyl 5-cyano-1,6-dihydro-1-(4-fluorophenyl)-4-methyl-6-pyridazinone-3-carboxylate
| Molecular Formula | C14H10FN3O3 |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 1.3383 |
| Topological Polar Surface Area | 84.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.07062 |
| Heavy Atoms | 21 |
| Complexity | 803.9396 |
Chemical Identifiers
| CAS Number | 339018-13-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N=C1C(=O)OC)C2=CC=C(C=C2)F)C#N |
Product Overview
Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate (CAS 339018-13-2), with molecular formula C14H10FN3O3 and molecular weight 287.07 g/mol. IUPAC: methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxylate.
Chemical Property Profile of Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate
Property Insights of Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate
The XLogP value of 1.3383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate. The TPSA of 84.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate. Following Lipinski's Rule of Five, Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate 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 Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
The CAS number of Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate is 339018-13-2.
What is the molecular formula of Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
The molecular formula of Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate is C14H10FN3O3.
What is the molecular weight of Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
The molecular weight of Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate is 287.07 g/mol.
Where can I buy Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
You can request a quote for Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-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-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.