TL;DR: Las 30538 (CAS 145067-04-5) is a chemical compound with molecular formula C28H31F2NO2 and molecular weight 451.2323 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol
Also Known As: Las 30538, [1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol, 1-(2-(2,6-Dimethylphenoxy)ethyl)-alpha,alpha-bis-(p-fluorophenyl)-4-piperidine methanol, 4-Piperidinemethanol, 1-(2-(2,6-dimethylphenoxy)ethyl)-alpha,alpha-bis(4-fluorophenyl)-, (1-(2-(2,6-dimethylphenoxy)ethyl)piperidin-4-yl)bis(4-fluorophenyl)methanol
| Molecular Formula | C28H31F2NO2 |
| Molecular Weight | 451.2323 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.2323 Da |
| Heavy Atoms | 33 |
| Complexity | 548.0 |
| SMILES | CC1=C(C(=CC=C1)C)OCCN2CCC(CC2)C(C3=CC=C(C=C3)F)(C4=CC=C(C=C4)F)O |
| InChIKey | BIZCZAJFIUSFDU-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that Las 30538 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, Las 30538 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Las 30538 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Las 30538 is 145067-04-5.
The molecular formula of Las 30538 is C28H31F2NO2.
The molecular weight of Las 30538 is 451.2323 g/mol.
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