5-O-Methyldihydrotetrabenazine
TL;DR: 5-O-Methyldihydrotetrabenazine (CAS 152404-97-2) is a chemical compound with molecular formula C20H31NO3 and molecular weight 333.2304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,9,10-trimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
Also Known As: Tbzome, Methoxytetrabenazine, (11C)Tbzome, 5-O-Methyldihydrotetrabenazine, 2,9,10-trimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
Technical Specifications
| Molecular Formula | C20H31NO3 |
| Molecular Weight | 333.2304 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.2304 Da |
| Heavy Atoms | 24 |
| Complexity | 402.0 |
| SMILES | CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1OC)OC)OC |
| InChIKey | GWNKOGCQUQKSHT-UHFFFAOYSA-N |
Chemical Property Profile of 5-O-Methyldihydrotetrabenazine
Property Insights of 5-O-Methyldihydrotetrabenazine
The XLogP value of 3.8 indicates that 5-O-Methyldihydrotetrabenazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.9 Ų, 5-O-Methyldihydrotetrabenazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-O-Methyldihydrotetrabenazine 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
What is the CAS number of 5-O-Methyldihydrotetrabenazine?
The CAS number of 5-O-Methyldihydrotetrabenazine is 152404-97-2.
What is the molecular formula of 5-O-Methyldihydrotetrabenazine?
The molecular formula of 5-O-Methyldihydrotetrabenazine is C20H31NO3.
What is the molecular weight of 5-O-Methyldihydrotetrabenazine?
The molecular weight of 5-O-Methyldihydrotetrabenazine is 333.2304 g/mol.
Where can I buy 5-O-Methyldihydrotetrabenazine?
You can request a quote for 5-O-Methyldihydrotetrabenazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-O-Methyldihydrotetrabenazine?
Yes, CoreyChem provides custom synthesis services for 5-O-Methyldihydrotetrabenazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.