1-(Naphthalen-1-yl)but-3-en-2-one
TL;DR: 1-(Naphthalen-1-yl)but-3-en-2-one (CAS 51557-09-6) is a chemical compound with molecular formula C14H12O and molecular weight 196.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-naphthalen-1-ylbut-3-en-2-one
Also Known As: naphthyl butenone, 1-(naphthalen-1-yl)but-3-en-2-one, 1-naphthalen-1-ylbut-3-en-2-one, KST-1B4835, (E)-4-(1-Naphthyl)-3-buten-2-one
Technical Specifications
| Molecular Formula | C14H12O |
| Molecular Weight | 196.08882 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.08882 Da |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
| SMILES | C=CC(=O)CC1=CC=CC2=CC=CC=C21 |
| InChIKey | YYKRYKYWULMAJT-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Naphthalen-1-yl)but-3-en-2-one
Property Insights of 1-(Naphthalen-1-yl)but-3-en-2-one
The XLogP value of 3.5 indicates that 1-(Naphthalen-1-yl)but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(Naphthalen-1-yl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Naphthalen-1-yl)but-3-en-2-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Naphthalen-1-yl)but-3-en-2-one?
The CAS number of 1-(Naphthalen-1-yl)but-3-en-2-one is 51557-09-6.
What is the molecular formula of 1-(Naphthalen-1-yl)but-3-en-2-one?
The molecular formula of 1-(Naphthalen-1-yl)but-3-en-2-one is C14H12O.
What is the molecular weight of 1-(Naphthalen-1-yl)but-3-en-2-one?
The molecular weight of 1-(Naphthalen-1-yl)but-3-en-2-one is 196.08882 g/mol.
Where can I buy 1-(Naphthalen-1-yl)but-3-en-2-one?
You can request a quote for 1-(Naphthalen-1-yl)but-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Naphthalen-1-yl)but-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 1-(Naphthalen-1-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.