![Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate structure](/static/products/2903/290313-30-3.webp)
Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
TL;DR: Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate (CAS 290313-30-3) is a chemical compound with molecular formula C25H26N4O5S and molecular weight 494.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-tert-butylphenyl)-5-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-tert-butylphenyl)-5-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate, Ethyl3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C25H26N4O5S |
|---|---|
| Molecular Weight | 494.16 g/mol |
| LogP | 4.30388 |
| Topological Polar Surface Area | 123.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.16238 |
| Heavy Atoms | 35 |
| Complexity | 1388.6987 |
Chemical Identifiers
| CAS Number | 290313-30-3 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N/C=C(\C#N)/C(=O)OCC)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate (CAS 290313-30-3), with molecular formula C25H26N4O5S and molecular weight 494.16 g/mol. IUPAC: ethyl 3-(4-tert-butylphenyl)-5-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
Property Insights of Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
The XLogP value of 4.30388 indicates that Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate has 1 hydrogen bond donor(s) and 9 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-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate?
The CAS number of Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate is 290313-30-3.
What is the molecular formula of Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate?
The molecular formula of Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate is C25H26N4O5S.
What is the molecular weight of Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate?
The molecular weight of Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate is 494.16 g/mol.
Where can I buy Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate?
You can request a quote for Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-(tert-butyl)phenyl)-5-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.