TL;DR: LU 49888 (CAS 109293-21-2) is a chemical compound with molecular formula C26H36ClN5O3 and molecular weight 507.27533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(3-azidophenyl)ethyl-(tritritiomethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile;hydrochloride
Also Known As: Azidopamil, Ludopamil, (N-Methyl-(3)H)LU49888, LU 49888, LU 47781
| Molecular Formula | C26H36ClN5O3 |
| Molecular Weight | 507.27533 g/mol |
| XLogP | 6.44808 |
| Topological Polar Surface Area (TPSA) | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 507.27533 Da |
| Heavy Atoms | 35 |
| Complexity | 690.0 |
| SMILES | [3H]C([3H])([3H])N(CCCC(C#N)(C1=CC(=C(C(=C1)OC)OC)OC)C(C)C)CCC2=CC(=CC=C2)N=[N+]=[N-].Cl |
| InChIKey | ZUNFHPIYIPQTIE-RTMIPMGSSA-N |
The XLogP value of 6.44808 indicates that LU 49888 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for LU 49888. Following Lipinski's Rule of Five, LU 49888 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of LU 49888 is 109293-21-2.
The molecular formula of LU 49888 is C26H36ClN5O3.
The molecular weight of LU 49888 is 507.27533 g/mol.
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