4H-1,3-Benzodioxin-6-carboxaldehyde
TL;DR: 4H-1,3-Benzodioxin-6-carboxaldehyde (CAS 92607-80-2) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4H-1,3-benzodioxine-6-carbaldehyde
Also Known As: 4H-1,3-Benzodioxin-6-carboxaldehyde, 4H-1,3-benzodioxine-6-carbaldehyde, 3,4-Ethylenedioxybenzaldehyde, 1,4-Benzodioxane-6-carboxaldehyde, 2,3-Dihydro-1,4-benzodioxin-6-carbaldehyde
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 92607-80-2 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)C=O)OCO1 |
| InChIKey | GNQQVGXSVAZLGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1,3-Benzodioxin-6-carboxaldehyde (CAS 92607-80-2), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 4H-1,3-benzodioxine-6-carbaldehyde.
Chemical Property Profile of 4H-1,3-Benzodioxin-6-carboxaldehyde
Property Insights of 4H-1,3-Benzodioxin-6-carboxaldehyde
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3-Benzodioxin-6-carboxaldehyde. With a topological polar surface area (TPSA) of 35.5 Ų, 4H-1,3-Benzodioxin-6-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,3-Benzodioxin-6-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 4H-1,3-Benzodioxin-6-carboxaldehyde?
The CAS number of 4H-1,3-Benzodioxin-6-carboxaldehyde is 92607-80-2.
What is the molecular formula of 4H-1,3-Benzodioxin-6-carboxaldehyde?
The molecular formula of 4H-1,3-Benzodioxin-6-carboxaldehyde is C9H8O3.
What is the molecular weight of 4H-1,3-Benzodioxin-6-carboxaldehyde?
The molecular weight of 4H-1,3-Benzodioxin-6-carboxaldehyde is 164.05 g/mol.
Where can I buy 4H-1,3-Benzodioxin-6-carboxaldehyde?
You can request a quote for 4H-1,3-Benzodioxin-6-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3-Benzodioxin-6-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Benzodioxin-6-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.