1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one)
TL;DR: 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one) (CAS 15517-57-4) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetyl-2,4,6-trimethylphenyl)ethanone
Also Known As: diacetyl-mesitylene, 1-(3-acetyl-2,4,6-trimethylphenyl)ethanone, 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one), RefChem:211946
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 15517-57-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)C)C)C(=O)C)C |
| InChIKey | QQLGCXFBLZBKGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one) (CAS 15517-57-4), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 1-(3-acetyl-2,4,6-trimethylphenyl)ethanone.
Chemical Property Profile of 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one)
Property Insights of 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one)
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one). With a topological polar surface area (TPSA) of 34.1 Ų, 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one) 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 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one)?
The CAS number of 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one) is 15517-57-4.
What is the molecular formula of 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one)?
The molecular formula of 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one) is C13H16O2.
What is the molecular weight of 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one)?
The molecular weight of 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one) is 204.12 g/mol.
Where can I buy 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one)?
You can request a quote for 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.