2',6'-Dimethylacetophenone
TL;DR: 2',6'-Dimethylacetophenone (CAS 2142-76-9) is a chemical compound with molecular formula C10H12O and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylphenyl)ethanone
Also Known As: 1-(2,6-dimethylphenyl)ethanone, 2,6-DIMETHYLACETOPHENONE, 2',6'-Dimethylacetophenone, null, 1-(2,6-dimethylphenyl)ethan-1-one
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 2142-76-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)C(=O)C |
| InChIKey | DDXBCZCBZGPSHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2',6'-Dimethylacetophenone (CAS 2142-76-9), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: 1-(2,6-dimethylphenyl)ethanone.
Chemical Property Profile of 2',6'-Dimethylacetophenone
Property Insights of 2',6'-Dimethylacetophenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',6'-Dimethylacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 2',6'-Dimethylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',6'-Dimethylacetophenone 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 2',6'-Dimethylacetophenone?
The CAS number of 2',6'-Dimethylacetophenone is 2142-76-9.
What is the molecular formula of 2',6'-Dimethylacetophenone?
The molecular formula of 2',6'-Dimethylacetophenone is C10H12O.
What is the molecular weight of 2',6'-Dimethylacetophenone?
The molecular weight of 2',6'-Dimethylacetophenone is 148.09 g/mol.
Where can I buy 2',6'-Dimethylacetophenone?
You can request a quote for 2',6'-Dimethylacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',6'-Dimethylacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2',6'-Dimethylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.