Metralindole monohydrochloride
TL;DR: Metralindole monohydrochloride (CAS 53734-79-5) is a chemical compound with molecular formula C15H18ClN3O and molecular weight 291.11 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;hydrochloride
Also Known As: Metralindole hydrochloride, Incazane, Incasan, Incazan, Inkasan
| Molecular Formula | C15H18ClN3O |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 2.3198 |
| Topological Polar Surface Area | 29.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.11383 |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 53734-79-5 |
|---|---|
| SMILES | CN1CCN2C3=C(C=C(C=C3)OC)C4=C2C1=NCC4.Cl |
| InChIKey | RQQVSZWEVNAKGW-UHFFFAOYSA-N |
Product Overview
Metralindole monohydrochloride (CAS 53734-79-5), with molecular formula C15H18ClN3O and molecular weight 291.11 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;hydrochloride.
Chemical Property Profile of Metralindole monohydrochloride
Property Insights of Metralindole monohydrochloride
The XLogP value of 2.3198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metralindole monohydrochloride. With a topological polar surface area (TPSA) of 29.8 Ų, Metralindole monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Metralindole monohydrochloride has 1 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 monohydrochloride?
The CAS number of Metralindole monohydrochloride is 53734-79-5.
What is the molecular formula of Metralindole monohydrochloride?
The molecular formula of Metralindole monohydrochloride is C15H18ClN3O.
What is the molecular weight of Metralindole monohydrochloride?
The molecular weight of Metralindole monohydrochloride is 291.11 g/mol.
Where can I buy Metralindole monohydrochloride?
You can request a quote for Metralindole monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metralindole monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Metralindole monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.