吲哚-3-甲醇
TL;DR: 吲哚-3-甲醇 (CAS 700-06-1) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲哚-3-甲醇
1H-indol-3-ylmethanol
Also Known As: Indole-3-carbinol, 3-Indolemethanol, (1H-Indol-3-yl)methanol, INDOLE-3-METHANOL, 3-Hydroxymethylindole
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
| Melting Point | 90 °C |
| Solubility | 7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 700-06-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CO |
| InChIKey | IVYPNXXAYMYVSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吲哚-3-甲醇 (CAS 700-06-1), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 1H-indol-3-ylmethanol.
Chemical Property Profile of 吲哚-3-甲醇
Property Insights of 吲哚-3-甲醇
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吲哚-3-甲醇. With a topological polar surface area (TPSA) of 36.0 Ų, 吲哚-3-甲醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吲哚-3-甲醇 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
Frequently Asked Questions
What is the CAS number of 吲哚-3-甲醇?
The CAS number of 吲哚-3-甲醇 is 700-06-1.
What is the molecular formula of 吲哚-3-甲醇?
The molecular formula of 吲哚-3-甲醇 is C9H9NO.
What is the molecular weight of 吲哚-3-甲醇?
The molecular weight of 吲哚-3-甲醇 is 147.07 g/mol.
Where can I buy 吲哚-3-甲醇?
You can request a quote for 吲哚-3-甲醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲哚-3-甲醇?
Yes, KEHONG BIO provides custom synthesis services for 吲哚-3-甲醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.