3-(1-Methylindol-2-yl)prop-2-enoic acid
TL;DR: 3-(1-Methylindol-2-yl)prop-2-enoic acid (CAS 132418-68-9) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-methylindol-2-yl)prop-2-enoic acid
Also Known As: 3-(1-methylindol-2-yl)prop-2-enoic acid, 3-(1-methyl-1h-indol-2-yl)prop-2-enoic acid, (2E)-3-(1-methyl-1H-indol-2-yl)prop-2-enoic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.07898 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07898 Da |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
| SMILES | CN1C2=CC=CC=C2C=C1C=CC(=O)O |
| InChIKey | UEWKUVAAIKIGEJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Methylindol-2-yl)prop-2-enoic acid
Property Insights of 3-(1-Methylindol-2-yl)prop-2-enoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Methylindol-2-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 3-(1-Methylindol-2-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Methylindol-2-yl)prop-2-enoic acid has 1 hydrogen bond donor(s) and 2 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-Methylindol-2-yl)prop-2-enoic acid?
The CAS number of 3-(1-Methylindol-2-yl)prop-2-enoic acid is 132418-68-9.
What is the molecular formula of 3-(1-Methylindol-2-yl)prop-2-enoic acid?
The molecular formula of 3-(1-Methylindol-2-yl)prop-2-enoic acid is C12H11NO2.
What is the molecular weight of 3-(1-Methylindol-2-yl)prop-2-enoic acid?
The molecular weight of 3-(1-Methylindol-2-yl)prop-2-enoic acid is 201.07898 g/mol.
Where can I buy 3-(1-Methylindol-2-yl)prop-2-enoic acid?
You can request a quote for 3-(1-Methylindol-2-yl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Methylindol-2-yl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1-Methylindol-2-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.