N-Methyl-5,6-dihydroxyindole
TL;DR: N-Methyl-5,6-dihydroxyindole (CAS 4821-00-5) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylindole-5,6-diol
Also Known As: 1-Methyl-1H-indole-5,6-diol, NMDHI, 1-methylindole-5,6-diol, N-Methyl-5,6-dihydroxyindole, Epinephrine Impurity 9
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 4821-00-5 |
|---|---|
| SMILES | CN1C=CC2=CC(=C(C=C21)O)O |
| InChIKey | VXOSJAYSAUDUOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methyl-5,6-dihydroxyindole (CAS 4821-00-5), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-methylindole-5,6-diol.
Chemical Property Profile of N-Methyl-5,6-dihydroxyindole
Property Insights of N-Methyl-5,6-dihydroxyindole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-5,6-dihydroxyindole. With a topological polar surface area (TPSA) of 45.4 Ų, N-Methyl-5,6-dihydroxyindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-5,6-dihydroxyindole 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
Frequently Asked Questions
What is the CAS number of N-Methyl-5,6-dihydroxyindole?
The CAS number of N-Methyl-5,6-dihydroxyindole is 4821-00-5.
What is the molecular formula of N-Methyl-5,6-dihydroxyindole?
The molecular formula of N-Methyl-5,6-dihydroxyindole is C9H9NO2.
What is the molecular weight of N-Methyl-5,6-dihydroxyindole?
The molecular weight of N-Methyl-5,6-dihydroxyindole is 163.06 g/mol.
Where can I buy N-Methyl-5,6-dihydroxyindole?
You can request a quote for N-Methyl-5,6-dihydroxyindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-5,6-dihydroxyindole?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-5,6-dihydroxyindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.