(1H-Indol-3-yl)methanol hydrate
TL;DR: (1H-Indol-3-yl)methanol hydrate (CAS 1216609-93-6) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1H-indol-3-ylmethanol;hydrate
Also Known As: Indole-3-carbinol hydrate, (1H-Indol-3-yl)methanol hydrate, 1H-indol-3-ylmethanol;hydrate, 1H-indol-3-ylmethanol hydrate, (1H-Indol-3-yl)methanol xhydrate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.07898 g/mol |
| XLogP | 0.8355 |
| Topological Polar Surface Area (TPSA) | 37.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.07898 Da |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CO.O |
| InChIKey | OMEVEHLSJRKSEF-UHFFFAOYSA-N |
Chemical Property Profile of (1H-Indol-3-yl)methanol hydrate
Property Insights of (1H-Indol-3-yl)methanol hydrate
The XLogP value of 0.8355 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1H-Indol-3-yl)methanol hydrate. With a topological polar surface area (TPSA) of 37.0 Ų, (1H-Indol-3-yl)methanol hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1H-Indol-3-yl)methanol hydrate has 3 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-Indol-3-yl)methanol hydrate?
The CAS number of (1H-Indol-3-yl)methanol hydrate is 1216609-93-6.
What is the molecular formula of (1H-Indol-3-yl)methanol hydrate?
The molecular formula of (1H-Indol-3-yl)methanol hydrate is C9H11NO2.
What is the molecular weight of (1H-Indol-3-yl)methanol hydrate?
The molecular weight of (1H-Indol-3-yl)methanol hydrate is 165.07898 g/mol.
Where can I buy (1H-Indol-3-yl)methanol hydrate?
You can request a quote for (1H-Indol-3-yl)methanol hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1H-Indol-3-yl)methanol hydrate?
Yes, CoreyChem provides custom synthesis services for (1H-Indol-3-yl)methanol hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.