Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
TL;DR: Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate (CAS 1322255-18-4) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(2-cyano-3-phenylprop-2-enamido)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 4.08732 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 860.7846 |
Chemical Identifiers
| CAS Number | 1322255-18-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C\C2=CC=CC=C2)/C#N |
Product Overview
Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate (CAS 1322255-18-4), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Property Insights of Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.08732 indicates that Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The CAS number of Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate is 1322255-18-4.
What is the molecular formula of Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate is C19H18N2O3S.
What is the molecular weight of Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate is 354.10 g/mol.
Where can I buy Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-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 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[(Z)-2-cyano-3-phenylprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.