2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate
TL;DR: 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate (CAS 875159-89-0) is a chemical compound with molecular formula C22H24O6 and molecular weight 384.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
Also Known As: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate|2-(1,3-Benzodioxol-5-yl)-2-oxoethyl 3-[4-(1,1-dimethylethyl)phenoxy]propanoate|2-(2H-1,3-BENZODIOXOL-5-YL)-2-OXOETHYL 3-(4-TERT-BUTYLPHENOXY)PROPANOATE
| Molecular Formula | C22H24O6 |
|---|---|
| Molecular Weight | 384.16 g/mol |
| LogP | 3.9078 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.1573 |
| Heavy Atoms | 28 |
| Complexity | 848.321 |
Chemical Identifiers
| CAS Number | 875159-89-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate (CAS 875159-89-0), with molecular formula C22H24O6 and molecular weight 384.16 g/mol. IUPAC: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate.
Chemical Property Profile of 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate
Property Insights of 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate
The XLogP value of 3.9078 indicates that 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate. Following Lipinski's Rule of Five, 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate has 0 hydrogen bond donor(s) and 6 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-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate?
The CAS number of 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate is 875159-89-0.
What is the molecular formula of 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate?
The molecular formula of 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate is C22H24O6.
What is the molecular weight of 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate?
The molecular weight of 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate is 384.16 g/mol.
Where can I buy 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate?
You can request a quote for 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-1,3-Benzodioxol-5-YL)-2-oxoethyl 3-(4-tert-butylphenoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.