1,3-Benzodioxole, 5-methoxy-
TL;DR: 1,3-Benzodioxole, 5-methoxy- (CAS 7228-35-5) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-1,3-benzodioxole
Also Known As: 5-methoxy-1,3-benzodioxole, 1,3-Benzodioxole, 5-methoxy-, 5-methoxybenzo[d][1,3]dioxole, 3,4-Methylenedioxyanisole, 5-Methoxy-1,3-dioxaindane
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 7228-35-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OCO2 |
| InChIKey | ZOILPUKKYLZIMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole, 5-methoxy- (CAS 7228-35-5), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 5-methoxy-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 5-methoxy-
Property Insights of 1,3-Benzodioxole, 5-methoxy-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-methoxy-. With a topological polar surface area (TPSA) of 27.7 Ų, 1,3-Benzodioxole, 5-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-methoxy- 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, 5-methoxy-?
The CAS number of 1,3-Benzodioxole, 5-methoxy- is 7228-35-5.
What is the molecular formula of 1,3-Benzodioxole, 5-methoxy-?
The molecular formula of 1,3-Benzodioxole, 5-methoxy- is C8H8O3.
What is the molecular weight of 1,3-Benzodioxole, 5-methoxy-?
The molecular weight of 1,3-Benzodioxole, 5-methoxy- is 152.05 g/mol.
Where can I buy 1,3-Benzodioxole, 5-methoxy-?
You can request a quote for 1,3-Benzodioxole, 5-methoxy- 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, 5-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.