Isobutyl alpha-cyano-3,4-methylenedioxycinnamate
TL;DR: Isobutyl alpha-cyano-3,4-methylenedioxycinnamate (CAS 117133-81-0) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.1001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
Also Known As: Isobutyl alpha-cyano-3,4-methylenedioxycinnamate, isobutyl alpha-cyano-3,4-(methylenedioxy)cinnamate, Isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-cyanoacrylate, 2-methylpropyl 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate, 2-methylpropyl 3-benzo[1,3]dioxol-5-yl-2-cyano-prop-2-enoate
Technical Specifications
| Molecular Formula | C15H15NO4 |
| Molecular Weight | 273.1001 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1001 Da |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
| SMILES | CC(C)COC(=O)C(=CC1=CC2=C(C=C1)OCO2)C#N |
| InChIKey | WWYWTHILBDBFJR-UHFFFAOYSA-N |
Chemical Property Profile of Isobutyl alpha-cyano-3,4-methylenedioxycinnamate
Property Insights of Isobutyl alpha-cyano-3,4-methylenedioxycinnamate
The XLogP value of 3.3 indicates that Isobutyl alpha-cyano-3,4-methylenedioxycinnamate 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 Isobutyl alpha-cyano-3,4-methylenedioxycinnamate. Following Lipinski's Rule of Five, Isobutyl alpha-cyano-3,4-methylenedioxycinnamate 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 Isobutyl alpha-cyano-3,4-methylenedioxycinnamate?
The CAS number of Isobutyl alpha-cyano-3,4-methylenedioxycinnamate is 117133-81-0.
What is the molecular formula of Isobutyl alpha-cyano-3,4-methylenedioxycinnamate?
The molecular formula of Isobutyl alpha-cyano-3,4-methylenedioxycinnamate is C15H15NO4.
What is the molecular weight of Isobutyl alpha-cyano-3,4-methylenedioxycinnamate?
The molecular weight of Isobutyl alpha-cyano-3,4-methylenedioxycinnamate is 273.1001 g/mol.
Where can I buy Isobutyl alpha-cyano-3,4-methylenedioxycinnamate?
You can request a quote for Isobutyl alpha-cyano-3,4-methylenedioxycinnamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl alpha-cyano-3,4-methylenedioxycinnamate?
Yes, CoreyChem provides custom synthesis services for Isobutyl alpha-cyano-3,4-methylenedioxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.