1,3-Benzodioxole-4-carboxaldehyde
TL;DR: 1,3-Benzodioxole-4-carboxaldehyde (CAS 7797-83-3) is a chemical compound with molecular formula C8H6O3 and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxole-4-carbaldehyde
Also Known As: 2,3-(Methylenedioxy)benzaldehyde, 1,3-benzodioxole-4-carbaldehyde, benzo[d][1,3]dioxole-4-carbaldehyde, 4-Formyl-1,3-benzodioxole, spermidine
| Molecular Formula | C8H6O3 |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.0317 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 7797-83-3 |
|---|---|
| SMILES | C1OC2=CC=CC(=C2O1)C=O |
| InChIKey | QZMQKPGVXNSITP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole-4-carboxaldehyde (CAS 7797-83-3), with molecular formula C8H6O3 and molecular weight 150.03 g/mol. IUPAC: 1,3-benzodioxole-4-carbaldehyde.
Chemical Property Profile of 1,3-Benzodioxole-4-carboxaldehyde
Property Insights of 1,3-Benzodioxole-4-carboxaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-4-carboxaldehyde. With a topological polar surface area (TPSA) of 35.5 Ų, 1,3-Benzodioxole-4-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-4-carboxaldehyde 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-4-carboxaldehyde?
The CAS number of 1,3-Benzodioxole-4-carboxaldehyde is 7797-83-3.
What is the molecular formula of 1,3-Benzodioxole-4-carboxaldehyde?
The molecular formula of 1,3-Benzodioxole-4-carboxaldehyde is C8H6O3.
What is the molecular weight of 1,3-Benzodioxole-4-carboxaldehyde?
The molecular weight of 1,3-Benzodioxole-4-carboxaldehyde is 150.03 g/mol.
Where can I buy 1,3-Benzodioxole-4-carboxaldehyde?
You can request a quote for 1,3-Benzodioxole-4-carboxaldehyde 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-4-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-4-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.