TL;DR: 1-Dodecanone, 1-(3-hydroxy-4-(methylamino)phenyl)- (CAS 135420-20-1) is a chemical compound with molecular formula C19H31NO2 and molecular weight 305.23547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-hydroxy-4-(methylamino)phenyl]dodecan-1-one
Also Known As: 1-Dodecanone, 1-(3-hydroxy-4-(methylamino)phenyl)-, 1-(3-Hydroxy-4-(methylamino)phenyl)-1-dodecanone, 1-[3-hydroxy-4-(methylamino)phenyl]dodecan-1-one, BRN 4317576
| Molecular Formula | C19H31NO2 |
| Molecular Weight | 305.23547 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 305.23547 Da |
| Heavy Atoms | 22 |
| Complexity | 293.0 |
| SMILES | CCCCCCCCCCCC(=O)C1=CC(=C(C=C1)NC)O |
| InChIKey | QSZXMYWSAYSYEH-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that 1-Dodecanone, 1-(3-hydroxy-4-(methylamino)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 1-Dodecanone, 1-(3-hydroxy-4-(methylamino)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Dodecanone, 1-(3-hydroxy-4-(methylamino)phenyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Dodecanone, 1-(3-hydroxy-4-(methylamino)phenyl)- is 135420-20-1.
The molecular formula of 1-Dodecanone, 1-(3-hydroxy-4-(methylamino)phenyl)- is C19H31NO2.
The molecular weight of 1-Dodecanone, 1-(3-hydroxy-4-(methylamino)phenyl)- is 305.23547 g/mol.
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