1,3-Benzodioxole, 5-ethenyl-
TL;DR: 1,3-Benzodioxole, 5-ethenyl- (CAS 7315-32-4) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethenyl-1,3-benzodioxole
Also Known As: 5-Vinylbenzo[d][1,3]dioxole, 5-ethenyl-1,3-benzodioxole, 5-vinyl-1,3-benzodioxole, 1,3-Benzodioxole, 5-ethenyl-, 3,4-methylenedioxystyrene
| Molecular Formula | C9H8O2 |
|---|---|
| Molecular Weight | 148.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.05243 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 7315-32-4 |
|---|---|
| SMILES | C=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | VWAVZAMMNJMAEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole, 5-ethenyl- (CAS 7315-32-4), with molecular formula C9H8O2 and molecular weight 148.05 g/mol. IUPAC: 5-ethenyl-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 5-ethenyl-
Property Insights of 1,3-Benzodioxole, 5-ethenyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-ethenyl-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Benzodioxole, 5-ethenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-ethenyl- has 0 hydrogen bond donor(s) and 2 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-ethenyl-?
The CAS number of 1,3-Benzodioxole, 5-ethenyl- is 7315-32-4.
What is the molecular formula of 1,3-Benzodioxole, 5-ethenyl-?
The molecular formula of 1,3-Benzodioxole, 5-ethenyl- is C9H8O2.
What is the molecular weight of 1,3-Benzodioxole, 5-ethenyl-?
The molecular weight of 1,3-Benzodioxole, 5-ethenyl- is 148.05 g/mol.
Where can I buy 1,3-Benzodioxole, 5-ethenyl-?
You can request a quote for 1,3-Benzodioxole, 5-ethenyl- 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-ethenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-ethenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.