5-Methyl-6-acetyl-1,4-benzodioxane
TL;DR: 5-Methyl-6-acetyl-1,4-benzodioxane (CAS 69464-53-5) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Also Known As: 5-methyl-6-acetyl-1,4-benzodioxane, starbld0036940, 1-(5-Methyl-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-one, Ethanone, 1-(2,3-dihydro-5-methyl-1,4-benzodioxin-6-yl)-, 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.96882 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 382.3642 |
Chemical Identifiers
| CAS Number | 69464-53-5 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OCCO2)C(=O)C |
Product Overview
5-Methyl-6-acetyl-1,4-benzodioxane (CAS 69464-53-5), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.
Chemical Property Profile of 5-Methyl-6-acetyl-1,4-benzodioxane
Property Insights of 5-Methyl-6-acetyl-1,4-benzodioxane
The XLogP value of 1.96882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-6-acetyl-1,4-benzodioxane. With a topological polar surface area (TPSA) of 35.53 Ų, 5-Methyl-6-acetyl-1,4-benzodioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-6-acetyl-1,4-benzodioxane has 0 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 5-Methyl-6-acetyl-1,4-benzodioxane?
The CAS number of 5-Methyl-6-acetyl-1,4-benzodioxane is 69464-53-5.
What is the molecular formula of 5-Methyl-6-acetyl-1,4-benzodioxane?
The molecular formula of 5-Methyl-6-acetyl-1,4-benzodioxane is C11H12O3.
What is the molecular weight of 5-Methyl-6-acetyl-1,4-benzodioxane?
The molecular weight of 5-Methyl-6-acetyl-1,4-benzodioxane is 192.08 g/mol.
Where can I buy 5-Methyl-6-acetyl-1,4-benzodioxane?
You can request a quote for 5-Methyl-6-acetyl-1,4-benzodioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-6-acetyl-1,4-benzodioxane?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-6-acetyl-1,4-benzodioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.