1H-Indole-3-propanoic acid
TL;DR: 1H-Indole-3-propanoic acid (CAS 830-96-6) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1H-indol-3-yl)propanoic acid
Also Known As: 3-Indolepropionic acid, Indole-3-propionic acid, 3-(1H-Indol-3-yl)propanoic acid, Indolepropionic acid, 1H-Indole-3-propanoic acid
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.07898 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07898 Da |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| Melting Point | 134 - 135 °C |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCC(=O)O |
| InChIKey | GOLXRNDWAUTYKT-UHFFFAOYSA-N |
Product Description
Applications: 1H-Indole-3-propanoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1H-Indole-3-propanoic acid (CAS 830-96-6) is a heterocyclic building block with the molecular formula C11H11NO2 and a molecular weight of 189.08 g/mol. Synonyms include 3-Indolepropionic acid and Indole-3-propionic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1H-Indole-3-propanoic acid
Property Insights of 1H-Indole-3-propanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-propanoic acid. With a topological polar surface area (TPSA) of 53.1 Ų, 1H-Indole-3-propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-propanoic 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 1H-Indole-3-propanoic acid?
The CAS number of 1H-Indole-3-propanoic acid is 830-96-6.
What is the molecular formula of 1H-Indole-3-propanoic acid?
The molecular formula of 1H-Indole-3-propanoic acid is C11H11NO2.
What is the molecular weight of 1H-Indole-3-propanoic acid?
The molecular weight of 1H-Indole-3-propanoic acid is 189.07898 g/mol.
What are the applications of 1H-Indole-3-propanoic acid?
1H-Indole-3-propanoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy 1H-Indole-3-propanoic acid?
You can request a quote for 1H-Indole-3-propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Indole-3-propanoic acid?
Yes, CoreyChem provides custom synthesis services for 1H-Indole-3-propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.