1,3-Benzodioxole, 2-ethoxy-
TL;DR: 1,3-Benzodioxole, 2-ethoxy- (CAS 64736-45-4) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-1,3-benzodioxole
Also Known As: 1,3-Benzodioxole, 2-ethoxy-, 2-ethoxy-1,3-benzodioxole, 1,3-Benzodioxol-2-yl ethyl ether, 1,3-Benzodioxol-2-yl ethyl ether #, 2-ETHOXY-2H-1,3-BENZODIOXOLE
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 64736-45-4 |
|---|---|
| SMILES | CCOC1OC2=CC=CC=C2O1 |
| InChIKey | OZKHPHVKACNSOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole, 2-ethoxy- (CAS 64736-45-4), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 2-ethoxy-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 2-ethoxy-
Property Insights of 1,3-Benzodioxole, 2-ethoxy-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 2-ethoxy-. With a topological polar surface area (TPSA) of 27.7 Ų, 1,3-Benzodioxole, 2-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 2-ethoxy- 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 1,3-Benzodioxole, 2-ethoxy-?
The CAS number of 1,3-Benzodioxole, 2-ethoxy- is 64736-45-4.
What is the molecular formula of 1,3-Benzodioxole, 2-ethoxy-?
The molecular formula of 1,3-Benzodioxole, 2-ethoxy- is C9H10O3.
What is the molecular weight of 1,3-Benzodioxole, 2-ethoxy-?
The molecular weight of 1,3-Benzodioxole, 2-ethoxy- is 166.06 g/mol.
Where can I buy 1,3-Benzodioxole, 2-ethoxy-?
You can request a quote for 1,3-Benzodioxole, 2-ethoxy- 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, 2-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 2-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.