4'-Methyl-1'-acetonaphthone
TL;DR: 4'-Methyl-1'-acetonaphthone (CAS 28418-86-2) is a chemical compound with molecular formula C13H12O and molecular weight 184.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylnaphthalen-1-yl)ethanone
Also Known As: 4-Methyl-1-acetonaphthone, 1-(4-methylnaphthalen-1-yl)ethanone, 4'-Methyl-1'-acetonaphthone, 1-(4-methylnaphthalen-1-yl)ethan-1-one, 1-Acetyl-4-methylnaphthalene
| Molecular Formula | C13H12O |
|---|---|
| Molecular Weight | 184.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.08882 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 28418-86-2 |
|---|---|
| SMILES | CC1=CC=C(C2=CC=CC=C12)C(=O)C |
| InChIKey | BKGIZYOJHJKFJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Methyl-1'-acetonaphthone (CAS 28418-86-2), with molecular formula C13H12O and molecular weight 184.09 g/mol. IUPAC: 1-(4-methylnaphthalen-1-yl)ethanone.
Chemical Property Profile of 4'-Methyl-1'-acetonaphthone
Property Insights of 4'-Methyl-1'-acetonaphthone
The XLogP value of 3.2 indicates that 4'-Methyl-1'-acetonaphthone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4'-Methyl-1'-acetonaphthone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Methyl-1'-acetonaphthone 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 4'-Methyl-1'-acetonaphthone?
The CAS number of 4'-Methyl-1'-acetonaphthone is 28418-86-2.
What is the molecular formula of 4'-Methyl-1'-acetonaphthone?
The molecular formula of 4'-Methyl-1'-acetonaphthone is C13H12O.
What is the molecular weight of 4'-Methyl-1'-acetonaphthone?
The molecular weight of 4'-Methyl-1'-acetonaphthone is 184.09 g/mol.
Where can I buy 4'-Methyl-1'-acetonaphthone?
You can request a quote for 4'-Methyl-1'-acetonaphthone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methyl-1'-acetonaphthone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methyl-1'-acetonaphthone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.