1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy-
TL;DR: 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy- (CAS 96573-15-8) is a chemical compound with molecular formula C11H14O5 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-4,5-dimethoxy-1,3-benzodioxole
Also Known As: 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy-, 6-ethoxy-4,5-dimethoxy-1,3-benzodioxole, 6-ethoxy-4,5-dimethoxy-benzo[1,3]dioxole, 6-ETHOXY-4,5-DIMETHOXY-2H-1,3-BENZODIOXOLE
| Molecular Formula | C11H14O5 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.08412 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 96573-15-8 |
|---|---|
| SMILES | CCOC1=C(C(=C2C(=C1)OCO2)OC)OC |
| InChIKey | BMANFQXIPWLUFB-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy- (CAS 96573-15-8), with molecular formula C11H14O5 and molecular weight 226.08 g/mol. IUPAC: 6-ethoxy-4,5-dimethoxy-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy-
Property Insights of 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy-. With a topological polar surface area (TPSA) of 46.2 Ų, 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy- 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 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy-?
The CAS number of 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy- is 96573-15-8.
What is the molecular formula of 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy-?
The molecular formula of 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy- is C11H14O5.
What is the molecular weight of 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy-?
The molecular weight of 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy- is 226.08 g/mol.
Where can I buy 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy-?
You can request a quote for 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 6-ethoxy-4,5-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.