TL;DR: BAS 00526339 (CAS 1256573-85-9) is a chemical compound with molecular formula C25H17Cl2NO and molecular weight 417.06873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(4-chlorophenyl)prop-2-en-1-one
Also Known As: BAS 00526339, (E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(4-chlorophenyl)prop-2-en-1-one, F0178-0062, (2E)-1-(6-CHLORO-2-METHYL-4-PHENYLQUINOLIN-3-YL)-3-(4-CHLOROPHENYL)PROP-2-EN-1-ONE, (2E)-1-(6-chloro-2-methyl-4-phenyl(3-quinolyl))-3-(4-chlorophenyl)prop-2-en-1- one
| Molecular Formula | C25H17Cl2NO |
| Molecular Weight | 417.06873 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.06873 Da |
| Heavy Atoms | 29 |
| Complexity | 579.0 |
| SMILES | CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C(=O)/C=C/C4=CC=C(C=C4)Cl |
| InChIKey | LCTAHPLEMDIDLD-NTEUORMPSA-N |
The XLogP value of 7.2 indicates that BAS 00526339 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.0 Ų, BAS 00526339 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00526339 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of BAS 00526339 is 1256573-85-9.
The molecular formula of BAS 00526339 is C25H17Cl2NO.
The molecular weight of BAS 00526339 is 417.06873 g/mol.
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