N-Methylbicuculline
TL;DR: N-Methylbicuculline (CAS 71538-43-7) is a chemical compound with molecular formula C22H22ClNO6 and molecular weight 431.11356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methylfuro[3,4-g][1,3]benzodioxol-8-one chloride
Also Known As: N-Methylbicuculline, bicuculline methochloride, KST-1A7797, (5s)-6,6-dimethyl-5-[(6r)-6-methyl-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride, (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-methylfuro[3,4-g][1,3]benzodioxol-8-one chloride
Technical Specifications
| Molecular Formula | C22H22ClNO6 |
| Molecular Weight | 431.11356 g/mol |
| XLogP | -0.0926 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 431.11356 Da |
| Heavy Atoms | 30 |
| Complexity | 699.0 |
| SMILES | C[C@@]1(C2=C(C3=C(C=C2)OCO3)C(=O)O1)[C@@H]4C5=CC6=C(C=C5CC[N+]4(C)C)OCO6.[Cl-] |
| InChIKey | QPBAWXSYMVNFJU-IKGOIYPNSA-M |
Chemical Property Profile of N-Methylbicuculline
Property Insights of N-Methylbicuculline
The XLogP value of -0.0926 indicates that N-Methylbicuculline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methylbicuculline. Following Lipinski's Rule of Five, N-Methylbicuculline has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-Methylbicuculline?
The CAS number of N-Methylbicuculline is 71538-43-7.
What is the molecular formula of N-Methylbicuculline?
The molecular formula of N-Methylbicuculline is C22H22ClNO6.
What is the molecular weight of N-Methylbicuculline?
The molecular weight of N-Methylbicuculline is 431.11356 g/mol.
Where can I buy N-Methylbicuculline?
You can request a quote for N-Methylbicuculline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Methylbicuculline?
Yes, CoreyChem provides custom synthesis services for N-Methylbicuculline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.