2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-
TL;DR: 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano- (CAS 107788-05-6) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-ethoxy-6-(phenylsulfanylmethyl)phenyl] acetate
Also Known As: 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-, 3-(4-(Acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-2-propenamide, [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-ethoxy-6-(phenylsulfanylmethyl)phenyl] acetate
Technical Specifications
| Molecular Formula | C21H20N2O4S |
| Molecular Weight | 396.11438 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 396.11438 Da |
| Heavy Atoms | 28 |
| Complexity | 621.0 |
| SMILES | CCOC1=CC(=CC(=C1OC(=O)C)CSC2=CC=CC=C2)/C=C(\C#N)/C(=O)N |
| InChIKey | ZUFVUSGNBKYJTN-CXUHLZMHSA-N |
Chemical Property Profile of 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-
Property Insights of 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-
The XLogP value of 3.2 indicates that 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-. Following Lipinski's Rule of Five, 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano- 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
What is the CAS number of 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-?
The CAS number of 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano- is 107788-05-6.
What is the molecular formula of 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-?
The molecular formula of 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano- is C21H20N2O4S.
What is the molecular weight of 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-?
The molecular weight of 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano- is 396.11438 g/mol.
Where can I buy 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-?
You can request a quote for 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-?
Yes, CoreyChem provides custom synthesis services for 2-Propenamide, 3-(4-(acetyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.