Indole-3-Carbinol
TL;DR: Indole-3-Carbinol (CAS 700-06-1) is a chemical compound with molecular formula C9H9NO and molecular weight 147.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-indol-3-ylmethanol
Also Known As: Indole-3-carbinol, 3-Indolemethanol, (1H-Indol-3-yl)methanol, INDOLE-3-METHANOL, 3-Hydroxymethylindole
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.06842 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 36.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.06842 Da |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
| Melting Point | 90 °C |
| Solubility | 7 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CO |
| InChIKey | IVYPNXXAYMYVSP-UHFFFAOYSA-N |
Product Description
Applications: Indole-3-Carbinol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Indole-3-Carbinol (CAS 700-06-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Indole-3-Carbinol is a pharmaceutical intermediate identified by CAS number 700-06-1 and the molecular formula C9H9NO and a molecular weight of 147.07 g/mol. Physically, the compound has a solubility: 7 [ug/mL] (The mean of the results at pH 7.4). It is also known as Indole-3-carbinol and 3-Indolemethanol.
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 Indole-3-Carbinol
Property Insights of Indole-3-Carbinol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-3-Carbinol. With a topological polar surface area (TPSA) of 36.0 Ų, Indole-3-Carbinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-3-Carbinol has 2 hydrogen bond donor(s) and 1 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-3-Carbinol?
The CAS number of Indole-3-Carbinol is 700-06-1.
What is the molecular formula of Indole-3-Carbinol?
The molecular formula of Indole-3-Carbinol is C9H9NO.
What is the molecular weight of Indole-3-Carbinol?
The molecular weight of Indole-3-Carbinol is 147.06842 g/mol.
What are the applications of Indole-3-Carbinol?
Indole-3-Carbinol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Indole-3-Carbinol (CAS 700-06-1) with...
Where can I buy Indole-3-Carbinol?
You can request a quote for Indole-3-Carbinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Indole-3-Carbinol?
Yes, CoreyChem provides custom synthesis services for Indole-3-Carbinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.