1-Acetylnaphthalene
TL;DR: 1-Acetylnaphthalene (CAS 941-98-0) is a chemical compound with molecular formula C12H10O and molecular weight 170.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-naphthalen-1-ylethanone
Also Known As: 1'-Acetonaphthone, 1-Acetonaphthone, 1-Acetylnaphthalene, 1-Acetonaphthalene, Methyl 1-naphthyl ketone
| Molecular Formula | C12H10O |
|---|---|
| Molecular Weight | 170.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.07317 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 941-98-0 |
|---|---|
| SMILES | CC(=O)C1=CC=CC2=CC=CC=C21 |
| InChIKey | QQLIGMASAVJVON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetylnaphthalene (CAS 941-98-0), with molecular formula C12H10O and molecular weight 170.07 g/mol. IUPAC: 1-naphthalen-1-ylethanone.
Chemical Property Profile of 1-Acetylnaphthalene
Property Insights of 1-Acetylnaphthalene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetylnaphthalene. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Acetylnaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetylnaphthalene 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
Frequently Asked Questions
What is the CAS number of 1-Acetylnaphthalene?
The CAS number of 1-Acetylnaphthalene is 941-98-0.
What is the molecular formula of 1-Acetylnaphthalene?
The molecular formula of 1-Acetylnaphthalene is C12H10O.
What is the molecular weight of 1-Acetylnaphthalene?
The molecular weight of 1-Acetylnaphthalene is 170.07 g/mol.
Where can I buy 1-Acetylnaphthalene?
You can request a quote for 1-Acetylnaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetylnaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetylnaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.