Mesembrine
TL;DR: Mesembrine (CAS 468060-73-3) is a chemical compound with molecular formula C17H23NO3 and molecular weight 289.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one
Also Known As: Mesembrine, (-)-Mesembrine, Mesembranone, Mesembrin, (-)-Mesembranone
| Molecular Formula | C17H23NO3 |
|---|---|
| Molecular Weight | 289.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.1678 |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 468060-73-3 |
|---|---|
| SMILES | CN1CC[C@]2([C@@H]1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC |
| InChIKey | DAHIQPJTGIHDGO-IRXDYDNUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mesembrine (CAS 468060-73-3), with molecular formula C17H23NO3 and molecular weight 289.17 g/mol. IUPAC: (3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one.
Chemical Property Profile of Mesembrine
Property Insights of Mesembrine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mesembrine. With a topological polar surface area (TPSA) of 38.8 Ų, Mesembrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mesembrine has 0 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 Mesembrine?
The CAS number of Mesembrine is 468060-73-3.
What is the molecular formula of Mesembrine?
The molecular formula of Mesembrine is C17H23NO3.
What is the molecular weight of Mesembrine?
The molecular weight of Mesembrine is 289.17 g/mol.
Where can I buy Mesembrine?
You can request a quote for Mesembrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mesembrine?
Yes, KEHONG BIO provides custom synthesis services for Mesembrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.