TL;DR: Sertraline Impurity 39ZE mixture (CAS 124345-14-8) is a chemical compound with molecular formula C16H13Cl2NO and molecular weight 305.0374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
Also Known As: Sertraline Impurity 39ZE mixture, N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine, 1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-, oxime, 4-(3',4'-Dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one Oxime, 4-(3,4-Dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-one oxime
| Molecular Formula | C16H13Cl2NO |
| Molecular Weight | 305.0374 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.0374 Da |
| Heavy Atoms | 20 |
| Complexity | 373.0 |
| SMILES | C1CC(=NO)C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | CGIUOCJZIYTDRG-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that Sertraline Impurity 39ZE mixture is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, Sertraline Impurity 39ZE mixture exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sertraline Impurity 39ZE mixture has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sertraline Impurity 39ZE mixture is 124345-14-8.
The molecular formula of Sertraline Impurity 39ZE mixture is C16H13Cl2NO.
The molecular weight of Sertraline Impurity 39ZE mixture is 305.0374 g/mol.
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