2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide
TL;DR: 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide (CAS 1164492-88-9) is a chemical compound with molecular formula C22H31N3O5 and molecular weight 417.22638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-3-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)-3-phenylpropanamide;N,N-diethylethanamine
Also Known As: 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide, 2-cyano-3-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)-3-phenylpropanamide; N,N-diethylethanamine
Technical Specifications
| Molecular Formula | C22H31N3O5 |
| Molecular Weight | 417.22638 g/mol |
| XLogP | 2.82248 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.22638 Da |
| Heavy Atoms | 30 |
| Complexity | 606.0 |
| SMILES | CCN(CC)CC.CC1(OC(=C(C(=O)O1)C(C2=CC=CC=C2)C(C#N)C(=O)N)O)C |
| InChIKey | UDTQHIUWHJPRQU-UHFFFAOYSA-N |
Chemical Property Profile of 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide
Property Insights of 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide
The XLogP value of 2.82248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide. Following Lipinski's Rule of Five, 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide has 2 hydrogen bond donor(s) and 7 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-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide?
The CAS number of 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide is 1164492-88-9.
What is the molecular formula of 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide?
The molecular formula of 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide is C22H31N3O5.
What is the molecular weight of 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide?
The molecular weight of 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide is 417.22638 g/mol.
Where can I buy 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide?
You can request a quote for 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide?
Yes, CoreyChem provides custom synthesis services for 2-cyano-3-(6-hydroxy-2,2-dimethyl-4-oxo-4H-1,3-dioxin-5-yl)-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.