1-(2,6-Dimethylphenoxy)-2-propanone
TL;DR: 1-(2,6-Dimethylphenoxy)-2-propanone (CAS 53012-41-2) 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.
1-(2,6-dimethylphenoxy)propan-2-one
Also Known As: 1-(2,6-Dimethylphenoxy)acetone, 1-(2,6-dimethylphenoxy)propan-2-one, 1- acetone, Mexiletine EP Impurity B, 1-(2,6-Dimethylphenoxy)-2-propanone
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 53012-41-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC(=O)C |
| InChIKey | XDJULAUHYAJQBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,6-Dimethylphenoxy)-2-propanone (CAS 53012-41-2), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 1-(2,6-dimethylphenoxy)propan-2-one.
Chemical Property Profile of 1-(2,6-Dimethylphenoxy)-2-propanone
Property Insights of 1-(2,6-Dimethylphenoxy)-2-propanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-Dimethylphenoxy)-2-propanone. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(2,6-Dimethylphenoxy)-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6-Dimethylphenoxy)-2-propanone 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 1-(2,6-Dimethylphenoxy)-2-propanone?
The CAS number of 1-(2,6-Dimethylphenoxy)-2-propanone is 53012-41-2.
What is the molecular formula of 1-(2,6-Dimethylphenoxy)-2-propanone?
The molecular formula of 1-(2,6-Dimethylphenoxy)-2-propanone is C11H14O2.
What is the molecular weight of 1-(2,6-Dimethylphenoxy)-2-propanone?
The molecular weight of 1-(2,6-Dimethylphenoxy)-2-propanone is 178.10 g/mol.
Where can I buy 1-(2,6-Dimethylphenoxy)-2-propanone?
You can request a quote for 1-(2,6-Dimethylphenoxy)-2-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-Dimethylphenoxy)-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Dimethylphenoxy)-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.