2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile
TL;DR: 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile (CAS 1024308-96-0) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.13716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(prop-2-ynylamino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3,3-BIS(PROP-2-YNYLAMINO)PROP-2-ENENITRILE, 2-[bis(prop-2-ynylamino)methylidene]-4,4-dimethyl-3-oxopentanenitrile, 2-[bis(prop-2-ynylamino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[bis(prop-2-ynylamino)methylidene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-{bis[(prop-2-yn-1-yl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile
Technical Specifications
| Molecular Formula | C14H17N3O |
| Molecular Weight | 243.13716 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.13716 Da |
| Heavy Atoms | 18 |
| Complexity | 471.0 |
| SMILES | CC(C)(C)C(=O)C(=C(NCC#C)NCC#C)C#N |
| InChIKey | ONEJBZQPXOGZRT-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile
Property Insights of 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile has 2 hydrogen bond donor(s) and 4 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-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile?
The CAS number of 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile is 1024308-96-0.
What is the molecular formula of 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile?
The molecular formula of 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile is C14H17N3O.
What is the molecular weight of 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile?
The molecular weight of 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile is 243.13716 g/mol.
Where can I buy 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile?
You can request a quote for 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(2,2-Dimethylpropanoyl)-3,3-bis(prop-2-ynylamino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.