4'-tert-Butyl-2',6'-dimethylacetophenone
TL;DR: 4'-tert-Butyl-2',6'-dimethylacetophenone (CAS 2040-10-0) is a chemical compound with molecular formula C14H20O and molecular weight 204.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
Also Known As: 4'-tert-Butyl-2',6'-dimethylacetophenone, orinox, Acetophenone,6'-dimethyl, F-17LOP, Acetophenone,6'-dimethyl-
| Molecular Formula | C14H20O |
|---|---|
| Molecular Weight | 204.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.15141 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 2040-10-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)C)C)C(C)(C)C |
| InChIKey | JNHLHPMTMTYLCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-tert-Butyl-2',6'-dimethylacetophenone (CAS 2040-10-0), with molecular formula C14H20O and molecular weight 204.15 g/mol. IUPAC: 1-(4-tert-butyl-2,6-dimethylphenyl)ethanone.
Chemical Property Profile of 4'-tert-Butyl-2',6'-dimethylacetophenone
Property Insights of 4'-tert-Butyl-2',6'-dimethylacetophenone
The XLogP value of 4.0 indicates that 4'-tert-Butyl-2',6'-dimethylacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4'-tert-Butyl-2',6'-dimethylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-tert-Butyl-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 4'-tert-Butyl-2',6'-dimethylacetophenone?
The CAS number of 4'-tert-Butyl-2',6'-dimethylacetophenone is 2040-10-0.
What is the molecular formula of 4'-tert-Butyl-2',6'-dimethylacetophenone?
The molecular formula of 4'-tert-Butyl-2',6'-dimethylacetophenone is C14H20O.
What is the molecular weight of 4'-tert-Butyl-2',6'-dimethylacetophenone?
The molecular weight of 4'-tert-Butyl-2',6'-dimethylacetophenone is 204.15 g/mol.
Where can I buy 4'-tert-Butyl-2',6'-dimethylacetophenone?
You can request a quote for 4'-tert-Butyl-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 4'-tert-Butyl-2',6'-dimethylacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-tert-Butyl-2',6'-dimethylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.