6-Methoxyharmalan
TL;DR: 6-Methoxyharmalan (CAS 66012-95-1) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
Also Known As: 6-Methoxyharmalan, 6-Methoxyharmalane, 10-Methoxyharmalan, Methoxy-6-harmalan, Harmalan
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 66012-95-1 |
|---|---|
| SMILES | CC1=NCCC2=C1NC3=C2C=C(C=C3)OC |
| InChIKey | HMBHRMFLDKKSCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methoxyharmalan (CAS 66012-95-1), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: 6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole.
Chemical Property Profile of 6-Methoxyharmalan
Property Insights of 6-Methoxyharmalan
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxyharmalan. With a topological polar surface area (TPSA) of 37.4 Ų, 6-Methoxyharmalan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxyharmalan 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 6-Methoxyharmalan?
The CAS number of 6-Methoxyharmalan is 66012-95-1.
What is the molecular formula of 6-Methoxyharmalan?
The molecular formula of 6-Methoxyharmalan is C13H14N2O.
What is the molecular weight of 6-Methoxyharmalan?
The molecular weight of 6-Methoxyharmalan is 214.11 g/mol.
Where can I buy 6-Methoxyharmalan?
You can request a quote for 6-Methoxyharmalan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxyharmalan?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxyharmalan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.