![1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone structure](/static/products/4853/485319-69-5.webp)
1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone
TL;DR: 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone (CAS 485319-69-5) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3a,7,8,9a-tetrahydrobenzo[f][1,3]benzodioxol-2-yl)ethanone
Also Known As: 1-(3a,5,6,9a-tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone, AE-562/12222265, 1-(3a,7,8,9a-tetrahydrobenzo[f][1,3]benzodioxol-2-yl)ethanone
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 1.9019 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 416.89365 |
Chemical Identifiers
| CAS Number | 485319-69-5 |
|---|---|
| SMILES | CC(=O)C1OC2C=C3CCC=CC3=CC2O1 |
Product Overview
1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone (CAS 485319-69-5), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 1-(3a,7,8,9a-tetrahydrobenzo[f][1,3]benzodioxol-2-yl)ethanone.
Chemical Property Profile of 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone
Property Insights of 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone
The XLogP value of 1.9019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone. With a topological polar surface area (TPSA) of 35.53 Ų, 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone 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 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone?
The CAS number of 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone is 485319-69-5.
What is the molecular formula of 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone?
The molecular formula of 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone is C13H14O3.
What is the molecular weight of 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone?
The molecular weight of 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone is 218.09 g/mol.
Where can I buy 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone?
You can request a quote for 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3a,5,6,9a-Tetrahydronaphtho[2,3-d][1,3]dioxol-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.