3,6-Diacetyl-acenaphthene
TL;DR: 3,6-Diacetyl-acenaphthene (CAS 19732-51-5) is a chemical compound with molecular formula C16H14O2 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-acetyl-1,2-dihydroacenaphthylen-3-yl)ethanone
Also Known As: 3,6-Diacetyl-acenaphthene, 3,6-Diacetylacenaphthene, KST-1B1504, 1,1'-(1,2-dihydroacenaphthylene-3,6-diyl)diethanone, 1-(6-acetyl-1,2-dihydroacenaphthylen-3-yl)ethanone
| Molecular Formula | C16H14O2 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.09938 |
| Heavy Atoms | 18 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 19732-51-5 |
|---|---|
| SMILES | CC(=O)C1=C2CCC3=C2C(=C(C=C3)C(=O)C)C=C1 |
| InChIKey | SQKCIOVSYHGBJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Diacetyl-acenaphthene (CAS 19732-51-5), with molecular formula C16H14O2 and molecular weight 238.10 g/mol. IUPAC: 1-(6-acetyl-1,2-dihydroacenaphthylen-3-yl)ethanone.
Chemical Property Profile of 3,6-Diacetyl-acenaphthene
Property Insights of 3,6-Diacetyl-acenaphthene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Diacetyl-acenaphthene. With a topological polar surface area (TPSA) of 34.1 Ų, 3,6-Diacetyl-acenaphthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Diacetyl-acenaphthene 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 3,6-Diacetyl-acenaphthene?
The CAS number of 3,6-Diacetyl-acenaphthene is 19732-51-5.
What is the molecular formula of 3,6-Diacetyl-acenaphthene?
The molecular formula of 3,6-Diacetyl-acenaphthene is C16H14O2.
What is the molecular weight of 3,6-Diacetyl-acenaphthene?
The molecular weight of 3,6-Diacetyl-acenaphthene is 238.10 g/mol.
Where can I buy 3,6-Diacetyl-acenaphthene?
You can request a quote for 3,6-Diacetyl-acenaphthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Diacetyl-acenaphthene?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Diacetyl-acenaphthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.