1-(2,3,4,5,6-Pentamethylphenyl)ethanone
TL;DR: 1-(2,3,4,5,6-Pentamethylphenyl)ethanone (CAS 2040-01-9) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,4,5,6-pentamethylphenyl)ethanone
Also Known As: Pentamethylacetophenone, 1-(Pentamethylphenyl)ethan-1-one, 1-(pentamethylphenyl)ethanone, 2,3,4,5,6-Pentamethylacetophenone, 2',3',4',5',6'-Pentamethylacetophenone
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 2040-01-9 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)C(=O)C)C)C |
| InChIKey | CTTYWXDVWGKHKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,3,4,5,6-Pentamethylphenyl)ethanone (CAS 2040-01-9), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 1-(2,3,4,5,6-pentamethylphenyl)ethanone.
Chemical Property Profile of 1-(2,3,4,5,6-Pentamethylphenyl)ethanone
Property Insights of 1-(2,3,4,5,6-Pentamethylphenyl)ethanone
The XLogP value of 3.4 indicates that 1-(2,3,4,5,6-Pentamethylphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(2,3,4,5,6-Pentamethylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3,4,5,6-Pentamethylphenyl)ethanone 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 1-(2,3,4,5,6-Pentamethylphenyl)ethanone?
The CAS number of 1-(2,3,4,5,6-Pentamethylphenyl)ethanone is 2040-01-9.
What is the molecular formula of 1-(2,3,4,5,6-Pentamethylphenyl)ethanone?
The molecular formula of 1-(2,3,4,5,6-Pentamethylphenyl)ethanone is C13H18O.
What is the molecular weight of 1-(2,3,4,5,6-Pentamethylphenyl)ethanone?
The molecular weight of 1-(2,3,4,5,6-Pentamethylphenyl)ethanone is 190.14 g/mol.
Where can I buy 1-(2,3,4,5,6-Pentamethylphenyl)ethanone?
You can request a quote for 1-(2,3,4,5,6-Pentamethylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3,4,5,6-Pentamethylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,4,5,6-Pentamethylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.