2-Acetyl-1-tetralone
TL;DR: 2-Acetyl-1-tetralone (CAS 17216-08-9) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 2-Acetyl-1-tetralone, 2-Acetyltetralone, 2-acetyl-3,4-dihydronaphthalen-1(2H)-one, 2-Acetyltetralin-1-one, 2-Acetyl-1-tetralinone
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 17216-08-9 |
|---|---|
| SMILES | CC(=O)C1CCC2=CC=CC=C2C1=O |
| InChIKey | BSELJBOMYPMBNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-1-tetralone (CAS 17216-08-9), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 2-acetyl-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 2-Acetyl-1-tetralone
Property Insights of 2-Acetyl-1-tetralone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-1-tetralone. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Acetyl-1-tetralone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-1-tetralone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Acetyl-1-tetralone?
The CAS number of 2-Acetyl-1-tetralone is 17216-08-9.
What is the molecular formula of 2-Acetyl-1-tetralone?
The molecular formula of 2-Acetyl-1-tetralone is C12H12O2.
What is the molecular weight of 2-Acetyl-1-tetralone?
The molecular weight of 2-Acetyl-1-tetralone is 188.08 g/mol.
Where can I buy 2-Acetyl-1-tetralone?
You can request a quote for 2-Acetyl-1-tetralone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-1-tetralone?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-1-tetralone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.