2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile
TL;DR: 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile (CAS 1001755-18-5) is a chemical compound with molecular formula C16H17NO and molecular weight 239.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,2-dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile
Also Known As: 2-(2,2-dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile, (2E,4E)-2-(2,2-dimethylpropanoyl)-5-phenyl-2,4-pentadienenitrile, (2E,4E)-2-(2,2-dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile, 2,4-Pentadienenitrile, 2-(2,2-dimethyl-1-oxopropyl)-5-phenyl-, (2E,4E)-
Technical Specifications
| Molecular Formula | C16H17NO |
| Molecular Weight | 239.13101 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.13101 Da |
| Heavy Atoms | 18 |
| Complexity | 395.0 |
| SMILES | CC(C)(C)C(=O)C(=CC=CC1=CC=CC=C1)C#N |
| InChIKey | UULHKJBIYMWYJB-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile
Property Insights of 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile
The XLogP value of 4.0 indicates that 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile has 0 hydrogen bond donor(s) and 2 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)-5-phenylpenta-2,4-dienenitrile?
The CAS number of 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile is 1001755-18-5.
What is the molecular formula of 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile?
The molecular formula of 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile is C16H17NO.
What is the molecular weight of 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile?
The molecular weight of 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile is 239.13101 g/mol.
Where can I buy 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile?
You can request a quote for 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(2,2-Dimethylpropanoyl)-5-phenylpenta-2,4-dienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.