![diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate structure](/static/products/5512/5512-84-5.webp)
diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate
TL;DR: diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate (CAS 5512-84-5) is a chemical compound with molecular formula C24H26N2O5S and molecular weight 454.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[3-cyano-4-[4-(dimethylamino)phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[3-cyano-4-[4-(dimethylamino)phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate, Diethyl 5-{3-cyano-4-[4-(dimethylamino)phenyl]-2-oxobut-3-en-1-yl}-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C24H26N2O5S |
|---|---|
| Molecular Weight | 454.16 g/mol |
| LogP | 4.1947 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.15625 |
| Heavy Atoms | 32 |
| Complexity | 1075.0446 |
Chemical Identifiers
| CAS Number | 5512-84-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=C(C=C2)N(C)C)C#N |
Product Overview
diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate (CAS 5512-84-5), with molecular formula C24H26N2O5S and molecular weight 454.16 g/mol. IUPAC: diethyl 5-[3-cyano-4-[4-(dimethylamino)phenyl]-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate
Property Insights of diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.1947 indicates that diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate has 0 hydrogen bond donor(s) and 8 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 diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate?
The CAS number of diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate is 5512-84-5.
What is the molecular formula of diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate is C24H26N2O5S.
What is the molecular weight of diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate is 454.16 g/mol.
Where can I buy diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-[3-cyano-4-(4-dimethylaminophenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.