3-(1,3-Benzodioxol-5-yloxy)-2-butanone
TL;DR: 3-(1,3-Benzodioxol-5-yloxy)-2-butanone (CAS 23973-82-2) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yloxy)butan-2-one
Also Known As: 3-(1,3-benzodioxol-5-yloxy)-2-butanone, benzodioxolyloxybutanone, 3-(Benzo[d][1,3]dioxol-5-yloxy)butan-2-one, 3-(1,3-benzodioxol-5-yloxy)butan-2-one, 3-(2H-1,3-benzodioxol-5-yloxy)butan-2-one
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.7716 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 386.17435 |
Chemical Identifiers
| CAS Number | 23973-82-2 |
|---|---|
| SMILES | CC(C(=O)C)OC1=CC2=C(C=C1)OCO2 |
Product Overview
3-(1,3-Benzodioxol-5-yloxy)-2-butanone (CAS 23973-82-2), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yloxy)butan-2-one.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yloxy)-2-butanone
Property Insights of 3-(1,3-Benzodioxol-5-yloxy)-2-butanone
The XLogP value of 1.7716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-yloxy)-2-butanone. With a topological polar surface area (TPSA) of 44.76 Ų, 3-(1,3-Benzodioxol-5-yloxy)-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yloxy)-2-butanone has 0 hydrogen bond donor(s) and 4 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 3-(1,3-Benzodioxol-5-yloxy)-2-butanone?
The CAS number of 3-(1,3-Benzodioxol-5-yloxy)-2-butanone is 23973-82-2.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yloxy)-2-butanone?
The molecular formula of 3-(1,3-Benzodioxol-5-yloxy)-2-butanone is C11H12O4.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yloxy)-2-butanone?
The molecular weight of 3-(1,3-Benzodioxol-5-yloxy)-2-butanone is 208.07 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yloxy)-2-butanone?
You can request a quote for 3-(1,3-Benzodioxol-5-yloxy)-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-yloxy)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yloxy)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.