3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile
TL;DR: 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile (CAS 1081811-68-8) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)prop-2-enenitrile
Also Known As: 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile, (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)prop-2-enenitrile, 3-Benzo[1,3]dioxol-5-yl-2-p-tolyl-acrylonitrile, Acrylonitrile, 3-(3,4-methylenedioxyphenyl)-2-p-tolyl-, (Z)-3-(1,3-benzodioxol-5-yl)-2-(p-tolyl)prop-2-enenitrile
Technical Specifications
| Molecular Formula | C17H13NO2 |
| Molecular Weight | 263.09464 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.09464 Da |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
| SMILES | CC1=CC=C(C=C1)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N |
| InChIKey | RNXQHCQDESYTIQ-OVCLIPMQSA-N |
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile
Property Insights of 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile
The XLogP value of 4.2 indicates that 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile 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
What is the CAS number of 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile is 1081811-68-8.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile is C17H13NO2.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile is 263.09464 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.