Metralindole
TL;DR: Metralindole (CAS 54188-38-4) is a chemical compound with molecular formula C15H17N3O and molecular weight 255.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methoxy-4-methyl-1,4,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10(15),11,13-pentaene
Also Known As: Metralindole, Metralindol, Metralindolum, Incasan, Inkasan
| Molecular Formula | C15H17N3O |
|---|---|
| Molecular Weight | 255.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.13716 |
| Heavy Atoms | 19 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 54188-38-4 |
|---|---|
| SMILES | CN1CCN2C3=C(C=C(C=C3)OC)C4=C2C1=NCC4 |
| InChIKey | GVXBHSBKKJRBMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metralindole (CAS 54188-38-4), with molecular formula C15H17N3O and molecular weight 255.14 g/mol. IUPAC: 12-methoxy-4-methyl-1,4,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10(15),11,13-pentaene.
Chemical Property Profile of Metralindole
Property Insights of Metralindole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metralindole. With a topological polar surface area (TPSA) of 29.8 Ų, Metralindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Metralindole has 0 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 Metralindole?
The CAS number of Metralindole is 54188-38-4.
What is the molecular formula of Metralindole?
The molecular formula of Metralindole is C15H17N3O.
What is the molecular weight of Metralindole?
The molecular weight of Metralindole is 255.14 g/mol.
Where can I buy Metralindole?
You can request a quote for Metralindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metralindole?
Yes, KEHONG BIO provides custom synthesis services for Metralindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.