3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide
TL;DR: 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide (CAS 158120-88-8) is a chemical compound with molecular formula C14H16N4OS and molecular weight 288.1045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-amino-2-cyano-3-morpholin-4-yl-N-phenylprop-2-enethioamide
Also Known As: 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide, (2E)-3-amino-2-cyano-3-(morpholin-4-yl)-N-phenylprop-2-enethioamide, 6K-921, (E)-3-amino-2-cyano-3-morpholin-4-yl-N-phenylprop-2-enethioamide, 3-Amino-2-cyano-3-morpholino-N-phenyl-2-propene thioamide
Technical Specifications
| Molecular Formula | C14H16N4OS |
| Molecular Weight | 288.1045 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.1045 Da |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
| SMILES | C1COCCN1/C(=C(\C#N)/C(=S)NC2=CC=CC=C2)/N |
| InChIKey | MIEMGDKRTRRKEK-OUKQBFOZSA-N |
Chemical Property Profile of 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide
Property Insights of 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide. Following Lipinski's Rule of Five, 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide?
The CAS number of 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide is 158120-88-8.
What is the molecular formula of 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide?
The molecular formula of 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide is C14H16N4OS.
What is the molecular weight of 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide?
The molecular weight of 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide is 288.1045 g/mol.
Where can I buy 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide?
You can request a quote for 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide?
Yes, CoreyChem provides custom synthesis services for 3-amino-2-cyano-3-morpholino-N-phenyl-2-propenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.