(E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate
TL;DR: (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate (CAS 1164490-48-5) is a chemical compound with molecular formula C15H14N2O2 and molecular weight 254.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
Also Known As: (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate, propan-2-yl (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate, propan-2-yl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate, AB00563840-06, methylethyl (2E)-2-cyano-3-indol-3-ylprop-2-enoate
Technical Specifications
| Molecular Formula | C15H14N2O2 |
| Molecular Weight | 254.10553 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.10553 Da |
| Heavy Atoms | 19 |
| Complexity | 419.0 |
| SMILES | CC(C)OC(=O)/C(=C/C1=CNC2=CC=CC=C21)/C#N |
| InChIKey | DICMEXPCBQXUHL-YRNVUSSQSA-N |
Chemical Property Profile of (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate
Property Insights of (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate
The XLogP value of 3.1 indicates that (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate. Following Lipinski's Rule of Five, (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate has 1 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 (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate?
The CAS number of (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate is 1164490-48-5.
What is the molecular formula of (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate?
The molecular formula of (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate is C15H14N2O2.
What is the molecular weight of (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate?
The molecular weight of (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate is 254.10553 g/mol.
Where can I buy (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate?
You can request a quote for (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate?
Yes, CoreyChem provides custom synthesis services for (E)-isopropyl 2-cyano-3-(1H-indol-3-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.