Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate
TL;DR: Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate (CAS 899729-16-9) is a chemical compound with molecular formula C21H18FN3O5 and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate
Also Known As: F2699-0078, ethyl 1-(4-fluorophenyl)-6-oxo-4-[(phenylcarbamoyl)methoxy]-1,6-dihydropyridazine-3-carboxylate, ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate, ethyl 1-(4-fluorophenyl)-6-oxo-4-(2-oxo-2-(phenylamino)ethoxy)-1,6-dihydropyridazine-3-carboxylate
| Molecular Formula | C21H18FN3O5 |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 2.5658 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.12305 |
| Heavy Atoms | 30 |
| Complexity | 1097.8748 |
Chemical Identifiers
| CAS Number | 899729-16-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C=C1OCC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)F |
Product Overview
Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate (CAS 899729-16-9), with molecular formula C21H18FN3O5 and molecular weight 411.12 g/mol. IUPAC: ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate.
Chemical Property Profile of Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate
Property Insights of Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate
The XLogP value of 2.5658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate has 1 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 Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate?
The CAS number of Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate is 899729-16-9.
What is the molecular formula of Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate?
The molecular formula of Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate is C21H18FN3O5.
What is the molecular weight of Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate?
The molecular weight of Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate is 411.12 g/mol.
Where can I buy Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate?
You can request a quote for Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-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 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-anilino-2-oxoethoxy)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.