(-)-N-Methylelmerrillicine
TL;DR: (-)-N-Methylelmerrillicine (CAS 107882-27-9) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12R)-7-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaen-18-ol
Also Known As: (-)-N-Methylelmerrillicine, (7aR)-4-Methoxy-7-methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol, 4-Methoxy-7-methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-12-ol, 6,7,7a,8-tetrahydro-4-methoxy-7-methyl-, (R)-
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 107882-27-9 |
|---|---|
| SMILES | CN1CCC2=C3[C@H]1CC4=C(C3=C5C(=C2OC)OCO5)C(=CC=C4)O |
| InChIKey | OAEXGVZBEFKLHD-GFCCVEGCSA-N |
Product Overview
(-)-N-Methylelmerrillicine (CAS 107882-27-9), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: (12R)-7-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaen-18-ol.
Chemical Property Profile of (-)-N-Methylelmerrillicine
Property Insights of (-)-N-Methylelmerrillicine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-N-Methylelmerrillicine. With a topological polar surface area (TPSA) of 51.2 Ų, (-)-N-Methylelmerrillicine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-N-Methylelmerrillicine has 1 hydrogen bond donor(s) and 5 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-Methylelmerrillicine?
The CAS number of (-)-N-Methylelmerrillicine is 107882-27-9.
What is the molecular formula of (-)-N-Methylelmerrillicine?
The molecular formula of (-)-N-Methylelmerrillicine is C19H19NO4.
What is the molecular weight of (-)-N-Methylelmerrillicine?
The molecular weight of (-)-N-Methylelmerrillicine is 325.13 g/mol.
Where can I buy (-)-N-Methylelmerrillicine?
You can request a quote for (-)-N-Methylelmerrillicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-N-Methylelmerrillicine?
Yes, KEHONG BIO provides custom synthesis services for (-)-N-Methylelmerrillicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.