(2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile
TL;DR: (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 150300-48-4) is a chemical compound with molecular formula C15H17NO2 and molecular weight 243.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(4-methoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-Pivaloyl-3-(4-methoxyphenyl)propenenitrile, J3.599.266I, 2-[(4-methoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile, 2-(2,2-DIMETHYLPROPANOYL)-3-(4-METHOXYPHENYL)PROP-2-ENENITRILE, (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile
| Molecular Formula | C15H17NO2 |
|---|---|
| Molecular Weight | 243.13 g/mol |
| LogP | 3.21738 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.12593 |
| Heavy Atoms | 18 |
| Complexity | 498.78052 |
Chemical Identifiers
| CAS Number | 150300-48-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C(=C/C1=CC=C(C=C1)OC)/C#N |
Product Overview
(2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 150300-48-4), with molecular formula C15H17NO2 and molecular weight 243.13 g/mol. IUPAC: (2E)-2-[(4-methoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile
Property Insights of (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile
The XLogP value of 3.21738 indicates that (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The CAS number of (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile is 150300-48-4.
What is the molecular formula of (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular formula of (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile is C15H17NO2.
What is the molecular weight of (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular weight of (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile is 243.13 g/mol.
Where can I buy (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
You can request a quote for (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(2,2-dimethylpropanoyl)-3-(4-methoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.