![ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate structure](/static/products/5453/545358-61-0.webp)
ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate
TL;DR: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate (CAS 545358-61-0) is a chemical compound with molecular formula C18H20N2O4S2 and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate, ethyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylate, (E)-ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-(thiophen-2-yl)acrylamido)thiophene-3-carboxylate, ethyl 2-((2E)-3-(2-thienyl)prop-2-enoylamino)-5-(N,N-dimethylcarbamoyl)-4-meth ylthiophene-3-carboxylate, ethyl 5-(dimethylcarbamoyl)-4-methyl-2-{[(2E)-3-(thiophen-2-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C18H20N2O4S2 |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 3.64842 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.08646 |
| Heavy Atoms | 26 |
| Complexity | 835.7483 |
Chemical Identifiers
| CAS Number | 545358-61-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)/C=C/C2=CC=CS2 |
Product Overview
ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate (CAS 545358-61-0), with molecular formula C18H20N2O4S2 and molecular weight 392.09 g/mol. IUPAC: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate
Property Insights of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate
The XLogP value of 3.64842 indicates that ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-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 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate?
The CAS number of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate is 545358-61-0.
What is the molecular formula of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate?
The molecular formula of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate is C18H20N2O4S2.
What is the molecular weight of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate?
The molecular weight of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate is 392.09 g/mol.
Where can I buy ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate?
You can request a quote for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-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 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.