![2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate structure](/static/products/114/114986-47-9.png)
2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate
TL;DR: 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate (CAS 114986-47-9) is a chemical compound with molecular formula C11H11ClO5 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate
Also Known As: 2-[(6-chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate, 1-acetoxy-2-(6-chloro-benzo[1,3]dioxol-5-yloxy)-ethane
| Molecular Formula | C11H11ClO5 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.0295 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 114986-47-9 |
|---|---|
| SMILES | CC(=O)OCCOC1=C(C=C2C(=C1)OCO2)Cl |
| InChIKey | XKVMNKKZRMLXIH-UHFFFAOYSA-N |
Product Overview
2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate (CAS 114986-47-9), with molecular formula C11H11ClO5 and molecular weight 258.03 g/mol. IUPAC: 2-[(6-chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate.
Chemical Property Profile of 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate
Property Insights of 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate. With a topological polar surface area (TPSA) of 54.0 Ų, 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate has 0 hydrogen bond donor(s) and 5 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 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate?
The CAS number of 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate is 114986-47-9.
What is the molecular formula of 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate?
The molecular formula of 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate is C11H11ClO5.
What is the molecular weight of 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate?
The molecular weight of 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate is 258.03 g/mol.
Where can I buy 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate?
You can request a quote for 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Chloro-1,3-benzodioxol-5-yl)oxy]ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.