Mibefradil
TL;DR: Mibefradil (CAS 116644-53-2) is a chemical compound with molecular formula C29H38FN3O3 and molecular weight 495.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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
Also Known As: Mibefradil, Posicor, Mibefradil dihydrochloride, Mibefradil HCl, mibefradilum
| Molecular Formula | C29H38FN3O3 |
|---|---|
| Molecular Weight | 495.29 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 495.28973 |
| Heavy Atoms | 36 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 116644-53-2 |
|---|---|
| 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 |
| InChIKey | HBNPJJILLOYFJU-VMPREFPWSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mibefradil (CAS 116644-53-2), with molecular formula C29H38FN3O3 and molecular weight 495.29 g/mol. IUPAC: [(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.
Chemical Property Profile of Mibefradil
Property Insights of Mibefradil
The XLogP value of 5.8 indicates that Mibefradil 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. Following Lipinski's Rule of Five, Mibefradil has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mibefradil?
The CAS number of Mibefradil is 116644-53-2.
What is the molecular formula of Mibefradil?
The molecular formula of Mibefradil is C29H38FN3O3.
What is the molecular weight of Mibefradil?
The molecular weight of Mibefradil is 495.29 g/mol.
Where can I buy Mibefradil?
You can request a quote for Mibefradil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mibefradil?
Yes, KEHONG BIO provides custom synthesis services for Mibefradil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.