Anisylacetone
TL;DR: Anisylacetone (CAS 104-20-1) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)butan-2-one
Also Known As: Anisylacetone, 4-(4-Methoxyphenyl)-2-butanone, 4-(4-Methoxyphenyl)butan-2-one, Methyl oxanone, 4-Methoxybenzylacetone
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
| Melting Point | 9 - 10 °C |
| Boiling Point | 152.00 to 153.00 °C. @ 15.00 mm Hg |
| Density | 1.041-1.050 |
| Solubility | very slightly |
| Refractive Index | 1.515-1.525 |
Chemical Identifiers
| CAS Number | 104-20-1 |
|---|---|
| SMILES | CC(=O)CCC1=CC=C(C=C1)OC |
| InChIKey | PCBSXBYCASFXTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Anisylacetone (CAS 104-20-1), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 4-(4-methoxyphenyl)butan-2-one.
Chemical Property Profile of Anisylacetone
Property Insights of Anisylacetone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anisylacetone. With a topological polar surface area (TPSA) of 26.3 Ų, Anisylacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anisylacetone 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 Anisylacetone?
The CAS number of Anisylacetone is 104-20-1.
What is the molecular formula of Anisylacetone?
The molecular formula of Anisylacetone is C11H14O2.
What is the molecular weight of Anisylacetone?
The molecular weight of Anisylacetone is 178.10 g/mol.
Where can I buy Anisylacetone?
You can request a quote for Anisylacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anisylacetone?
Yes, KEHONG BIO provides custom synthesis services for Anisylacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.