1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone
TL;DR: 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone (CAS 51233-76-2) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-acetyl-4-hydroxy-2,3-dimethylphenyl)ethanone
Also Known As: 2,4-Diacetyl-5,6-dimethylphenol, 1-(5-acetyl-2-hydroxy-3,4-dimethyl-phenyl)ethanone, 1,1'-(4-hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone, 2-[2-(4-chloro-2-hydroxy-phenyl)-benzooxazol-5-yl]-propionitrile
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.41424 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 406.42072 |
Chemical Identifiers
| CAS Number | 51233-76-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1C(=O)C)C(=O)C)O)C |
Product Overview
1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone (CAS 51233-76-2), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 1-(5-acetyl-4-hydroxy-2,3-dimethylphenyl)ethanone.
Chemical Property Profile of 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone
Property Insights of 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone
The XLogP value of 2.41424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone. With a topological polar surface area (TPSA) of 54.37 Ų, 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone has 1 hydrogen bond donor(s) and 3 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'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone?
The CAS number of 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone is 51233-76-2.
What is the molecular formula of 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone?
The molecular formula of 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone is C12H14O3.
What is the molecular weight of 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone?
The molecular weight of 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone is 206.09 g/mol.
Where can I buy 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone?
You can request a quote for 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(4-Hydroxy-5,6-dimethyl-1,3-phenylene)bis-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.