(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid
TL;DR: (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid (CAS 1453484-21-3) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid
Also Known As: 2-Cyano-3-(1H-indol-3-yl)acrylic acid, (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic Acid
Technical Specifications
| Molecular Formula | C12H8N2O2 |
| Molecular Weight | 212.05858 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.05858 Da |
| Heavy Atoms | 16 |
| Complexity | 366.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)/C=C(\C#N)/C(=O)O |
| InChIKey | VEXPFUXVCVZRLI-VMPITWQZSA-N |
Chemical Property Profile of (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid
Property Insights of (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid has 2 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)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid?
The CAS number of (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid is 1453484-21-3.
What is the molecular formula of (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid?
The molecular formula of (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid is C12H8N2O2.
What is the molecular weight of (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid?
The molecular weight of (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid is 212.05858 g/mol.
Where can I buy (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid?
You can request a quote for (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.