Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate
TL;DR: Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate (CAS 431978-03-9) is a chemical compound with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate
Also Known As: ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate, BAS 05317387, 3-oxo-2-[(6-oxo-1-phenyl-3-pyridazinyl)oxy]butanoic acid ethyl ester, ethyl 3-oxo-2-[(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy]butanoate, ethyl 3-oxo-2-((6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy)butanoate
| Molecular Formula | C16H16N2O5 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 1.132 |
| Topological Polar Surface Area | 87.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.10593 |
| Heavy Atoms | 23 |
| Complexity | 754.566 |
Chemical Identifiers
| CAS Number | 431978-03-9 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 |
Product Overview
Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate (CAS 431978-03-9), with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol. IUPAC: ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate.
Chemical Property Profile of Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate
Property Insights of Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate
The XLogP value of 1.132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate. The TPSA of 87.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate. Following Lipinski's Rule of Five, Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate 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 Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate?
The CAS number of Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate is 431978-03-9.
What is the molecular formula of Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate?
The molecular formula of Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate is C16H16N2O5.
What is the molecular weight of Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate?
The molecular weight of Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate is 316.11 g/mol.
Where can I buy Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate?
You can request a quote for Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-2-(6-oxo-1-phenylpyridazin-3-yl)oxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.