ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate
TL;DR: ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate (CAS 120049-79-8) is a chemical compound with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)pyridazine-3-carboxylate
Also Known As: ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate, 0831AD, Ethyl 5-cyano-6-imino-4-methyl-1-(p-tolyl)-1,6-dihydropyridazine-3-carboxylate, ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)pyridazine-3-carboxylate, 3-Pyridazinecarboxylic acid,5-cyano-1,6-dihydro-6-imino-4-methyl-1-(4-methylphenyl)-, ethyl ester
| Molecular Formula | C16H16N4O2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.12732 |
| Heavy Atoms | 22 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 120049-79-8 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=N)C(=C1C)C#N)C2=CC=C(C=C2)C |
| InChIKey | KXDZPBUIBOPOIV-UHFFFAOYSA-N |
Product Overview
ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate (CAS 120049-79-8), with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol. IUPAC: ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)pyridazine-3-carboxylate.
Chemical Property Profile of ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate
Property Insights of ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate has 1 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 ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate?
The CAS number of ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate is 120049-79-8.
What is the molecular formula of ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate?
The molecular formula of ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate is C16H16N4O2.
What is the molecular weight of ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate?
The molecular weight of ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate is 296.13 g/mol.
Where can I buy ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate?
You can request a quote for ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-cyano-6-imino-4-methyl-1-(4-methylphenyl)-1,6-dihydropyridazine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.