2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
TL;DR: 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile (CAS 122324-23-6) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzoyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Also Known As: NCI60_014646, 3,4,5-Trimethoxy-.alpha.-benzoyl cinnamonitrile, 2-benzoyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile, (Z)-2-benzoyl-3-(3,4,5-trimethoxyphenyl)-2-propenenitrile, 2-(PHENYLCARBONYL)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-ENENITRILE
Technical Specifications
| Molecular Formula | C19H17NO4 |
| Molecular Weight | 323.11575 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.11575 Da |
| Heavy Atoms | 24 |
| Complexity | 487.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)C2=CC=CC=C2 |
| InChIKey | UOUFHXICGIKHAK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Property Insights of 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
The XLogP value of 3.5 indicates that 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile has 0 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 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
The CAS number of 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile is 122324-23-6.
What is the molecular formula of 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
The molecular formula of 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile is C19H17NO4.
What is the molecular weight of 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
The molecular weight of 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile is 323.11575 g/mol.
Where can I buy 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
You can request a quote for 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Phenylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.