Tetrabenazine Impurity 31
TL;DR: Tetrabenazine Impurity 31 (CAS 1381929-92-5) is a chemical compound with molecular formula C19H27NO3 and molecular weight 317.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Also Known As: (-)-tetrabenazine, TETRABENAZINE, Tetrabenazine Impurity 31, Tetrabenazine Related Impurity 2, (3R,11bS)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
Technical Specifications
| Molecular Formula | C19H27NO3 |
| Molecular Weight | 317.1991 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.1991 Da |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
| SMILES | CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@@H]2CC1=O)OC)OC |
| InChIKey | MKJIEFSOBYUXJB-ZBFHGGJFSA-N |
Chemical Property Profile of Tetrabenazine Impurity 31
Property Insights of Tetrabenazine Impurity 31
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrabenazine Impurity 31. With a topological polar surface area (TPSA) of 38.8 Ų, Tetrabenazine Impurity 31 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrabenazine Impurity 31 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 Tetrabenazine Impurity 31?
The CAS number of Tetrabenazine Impurity 31 is 1381929-92-5.
What is the molecular formula of Tetrabenazine Impurity 31?
The molecular formula of Tetrabenazine Impurity 31 is C19H27NO3.
What is the molecular weight of Tetrabenazine Impurity 31?
The molecular weight of Tetrabenazine Impurity 31 is 317.1991 g/mol.
Where can I buy Tetrabenazine Impurity 31?
You can request a quote for Tetrabenazine Impurity 31 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tetrabenazine Impurity 31?
Yes, CoreyChem provides custom synthesis services for Tetrabenazine Impurity 31 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.