TL;DR: 2-Methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one (CAS 137078-71-8) is a chemical compound with molecular formula C25H33NO and molecular weight 363.25623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)-1H-quinolin-4-one
Also Known As: Aurachin D, 2-Methyl-3-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)quinolin-4-ol, 2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)-1H-quinolin-4-one, 2-Methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10- trienyl]-1H-quinolin-4-one, 2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1,4-dihydroquinolin-4-one
| Molecular Formula | C25H33NO |
| Molecular Weight | 363.25623 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.25623 Da |
| Heavy Atoms | 27 |
| Complexity | 643.0 |
| SMILES | CC1=C(C(=O)C2=CC=CC=C2N1)CC=C(C)CCC=C(C)CCC=C(C)C |
| InChIKey | JHMLNOXMSHURLQ-UHFFFAOYSA-N |
The XLogP value of 7.6 indicates that 2-Methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one is 137078-71-8.
The molecular formula of 2-Methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one is C25H33NO.
The molecular weight of 2-Methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one is 363.25623 g/mol.
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