TL;DR: 2-Propenal, 3-(1-naphthalenyl)-, (E)- (CAS 113388-92-4) is a chemical compound with molecular formula C13H10O and molecular weight 182.07317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-naphthalen-1-ylprop-2-enal
Also Known As: 3-(1-naphthalenyl)-2-propenal, 3-(naphthalen-1-yl)prop-2-enal, 2-Propenal, 3-(1-naphthalenyl)-, (E)-, (E)-3-(naphthalen-1-yl)acrylaldehyde, (2E)-3-(NAPHTHALEN-1-YL)PROP-2-ENAL
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H10O |
| Molecular Weight | 182.07317 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.07317 Da |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2C=CC=O |
| InChIKey | UTHCEVDIYLRXTA-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2-Propenal, 3-(1-naphthalenyl)-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Propenal, 3-(1-naphthalenyl)-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenal, 3-(1-naphthalenyl)-, (E)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propenal, 3-(1-naphthalenyl)-, (E)- is 113388-92-4.
The molecular formula of 2-Propenal, 3-(1-naphthalenyl)-, (E)- is C13H10O.
The molecular weight of 2-Propenal, 3-(1-naphthalenyl)-, (E)- is 182.07317 g/mol.
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