Indole-3,5,6-triol, 1-methyl-
TL;DR: Indole-3,5,6-triol, 1-methyl- (CAS 87708-46-1) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dihydroxy-1-methyl-2H-indol-3-one
Also Known As: Adrenolutin, Adrenochrome Impurity 2, Trihydroxy-N-methylindole, Adrenochrome Impurity 1, Adrenochrome Impurity 46
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 87708-46-1 |
|---|---|
| SMILES | CN1CC(=O)C2=CC(=C(C=C21)O)O |
| InChIKey | FRBBSLWYVVQVSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indole-3,5,6-triol, 1-methyl- (CAS 87708-46-1), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 5,6-dihydroxy-1-methyl-2H-indol-3-one.
Chemical Property Profile of Indole-3,5,6-triol, 1-methyl-
Property Insights of Indole-3,5,6-triol, 1-methyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-3,5,6-triol, 1-methyl-. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole-3,5,6-triol, 1-methyl-. Following Lipinski's Rule of Five, Indole-3,5,6-triol, 1-methyl- has 2 hydrogen bond donor(s) and 4 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 Indole-3,5,6-triol, 1-methyl-?
The CAS number of Indole-3,5,6-triol, 1-methyl- is 87708-46-1.
What is the molecular formula of Indole-3,5,6-triol, 1-methyl-?
The molecular formula of Indole-3,5,6-triol, 1-methyl- is C9H9NO3.
What is the molecular weight of Indole-3,5,6-triol, 1-methyl-?
The molecular weight of Indole-3,5,6-triol, 1-methyl- is 179.06 g/mol.
Where can I buy Indole-3,5,6-triol, 1-methyl-?
You can request a quote for Indole-3,5,6-triol, 1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-3,5,6-triol, 1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Indole-3,5,6-triol, 1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.