1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-
TL;DR: 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy- (CAS 5780-07-4) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-1,3-benzodioxole-5-carbaldehyde
Also Known As: Myristicin aldehyde, 5-methoxypiperonal, 3-Methoxypiperonal, Myristicinaldehyde, Myristicaldehyde
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 5780-07-4 |
|---|---|
| SMILES | COC1=CC(=CC2=C1OCO2)C=O |
| InChIKey | LOFRBHZYZCIOJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy- (CAS 5780-07-4), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 7-methoxy-1,3-benzodioxole-5-carbaldehyde.
Chemical Property Profile of 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-
Property Insights of 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy- has 0 hydrogen bond donor(s) and 4 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-carboxaldehyde, 7-methoxy-?
The CAS number of 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy- is 5780-07-4.
What is the molecular formula of 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-?
The molecular formula of 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy- is C9H8O4.
What is the molecular weight of 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-?
The molecular weight of 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy- is 180.04 g/mol.
Where can I buy 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-?
You can request a quote for 1,3-Benzodioxole-5-carboxaldehyde, 7-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-carboxaldehyde, 7-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.