Indole-4-carboxylic acid
TL;DR: Indole-4-carboxylic acid (CAS 1227565-81-2) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.04768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-indole-4-carboxylic acid
Also Known As: Indole-4-carboxylic acid, 1H-Indole-4-carboxylic acid, Indole-4-Carboxylicacid, 4-Carboxyindole, null
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.04768 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.04768 Da |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
| SMILES | C1=CC(=C2C=CNC2=C1)C(=O)O |
| InChIKey | ROGHUJUFCRFUSO-UHFFFAOYSA-N |
Chemical Property Profile of Indole-4-carboxylic acid
Property Insights of Indole-4-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-4-carboxylic acid. With a topological polar surface area (TPSA) of 53.1 Ų, Indole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-4-carboxylic acid has 2 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 Indole-4-carboxylic acid?
The CAS number of Indole-4-carboxylic acid is 1227565-81-2.
What is the molecular formula of Indole-4-carboxylic acid?
The molecular formula of Indole-4-carboxylic acid is C9H7NO2.
What is the molecular weight of Indole-4-carboxylic acid?
The molecular weight of Indole-4-carboxylic acid is 161.04768 g/mol.
Where can I buy Indole-4-carboxylic acid?
You can request a quote for Indole-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Indole-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for Indole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.