![4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate structure](/static/products/843/843619-99-8.png)
4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate
TL;DR: 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate (CAS 843619-99-8) is a chemical compound with molecular formula C20H17N3O4S3 and molecular weight 459.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 5-[[(E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate, 4-O-ethyl 2-O-methyl 5-[[(E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C20H17N3O4S3 |
|---|---|
| Molecular Weight | 459.04 g/mol |
| LogP | 4.6957 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.03812 |
| Heavy Atoms | 30 |
| Complexity | 1130.8431 |
Chemical Identifiers
| CAS Number | 843619-99-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)N/C=C(\C#N)/C2=NC(=CS2)C3=C=CCS3 |
Product Overview
4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate (CAS 843619-99-8), with molecular formula C20H17N3O4S3 and molecular weight 459.04 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 5-[[(E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate
Property Insights of 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.6957 indicates that 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 10 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 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate is 843619-99-8.
What is the molecular formula of 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate is C20H17N3O4S3.
What is the molecular weight of 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate is 459.04 g/mol.
Where can I buy 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-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 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl 2-methyl 5-{[(1E)-2-cyano-2-[4-(2H-thiophen-5-yl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.