butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
TL;DR: butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate (CAS 129180-03-6) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.1212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
Also Known As: (E)-butyl 2-cyano-3-(1H-indol-3-yl)acrylate, AB01289365-01, butyl (2E)-2-cyano-3-indol-3-ylprop-2-enoate, butyl (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate, butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
Technical Specifications
| Molecular Formula | C16H16N2O2 |
| Molecular Weight | 268.1212 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.1212 Da |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
| SMILES | CCCCOC(=O)/C(=C/C1=CNC2=CC=CC=C21)/C#N |
| InChIKey | JDIDNZGNRUZPPO-FMIVXFBMSA-N |
Chemical Property Profile of butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
Property Insights of butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
The XLogP value of 3.5 indicates that butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate 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 butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate. Following Lipinski's Rule of Five, butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate 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 butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate?
The CAS number of butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate is 129180-03-6.
What is the molecular formula of butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate?
The molecular formula of butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate is C16H16N2O2.
What is the molecular weight of butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate?
The molecular weight of butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate is 268.1212 g/mol.
Where can I buy butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate?
You can request a quote for butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for butyl (2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.