Mibefradil Dihydrochloride
TL;DR: Mibefradil Dihydrochloride (CAS 116666-63-8) is a chemical compound with molecular formula C29H40Cl2FN3O3 and molecular weight 567.2431 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate;dihydrochloride
Also Known As: Mibefradil dihydrochloride, Posicor, Mibefradil, Mibefradil hydrochloride, Mibefradil HCl
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C29H40Cl2FN3O3 |
| Molecular Weight | 567.2431 g/mol |
| XLogP | 6.11 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 567.2431 Da |
| Heavy Atoms | 38 |
| Complexity | 709.0 |
| SMILES | CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F.Cl.Cl |
| InChIKey | MTJLQTFHJIHXIX-GDUXWEAWSA-N |
Chemical Property Profile of Mibefradil Dihydrochloride
Property Insights of Mibefradil Dihydrochloride
The XLogP value of 6.11 indicates that Mibefradil Dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Mibefradil Dihydrochloride. Following Lipinski's Rule of Five, Mibefradil Dihydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Mibefradil Dihydrochloride?
The CAS number of Mibefradil Dihydrochloride is 116666-63-8.
What is the molecular formula of Mibefradil Dihydrochloride?
The molecular formula of Mibefradil Dihydrochloride is C29H40Cl2FN3O3.
What is the molecular weight of Mibefradil Dihydrochloride?
The molecular weight of Mibefradil Dihydrochloride is 567.2431 g/mol.
Where can I buy Mibefradil Dihydrochloride?
You can request a quote for Mibefradil Dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mibefradil Dihydrochloride?
Yes, CoreyChem provides custom synthesis services for Mibefradil Dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.