![2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde structure](/static/products/657/65709-23-1.png)
2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde
TL;DR: 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde (CAS 65709-23-1) is a chemical compound with molecular formula C9H6O4 and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-2-oxoacetaldehyde
Also Known As: 2-(1,3-Benzodioxol-5-yl)glyoxal, 1-(1,3-Benzodioxole-5-yl)glyoxal, 1-(3,4-Methylenedioxyphenyl)glyoxal, 3,4-Methylenedioxyphenylglyoxal hydrate, alpha-Oxo-1,3-benzodioxole-5-acetaldehyde
| Molecular Formula | C9H6O4 |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 0.7969 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.02661 |
| Heavy Atoms | 13 |
| Complexity | 369.8775 |
Chemical Identifiers
| CAS Number | 65709-23-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)C=O |
Product Overview
2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde (CAS 65709-23-1), with molecular formula C9H6O4 and molecular weight 178.03 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-2-oxoacetaldehyde.
Chemical Property Profile of 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde
Property Insights of 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde
The XLogP value of 0.7969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde. With a topological polar surface area (TPSA) of 52.6 Ų, 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde 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 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde?
The CAS number of 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde is 65709-23-1.
What is the molecular formula of 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde?
The molecular formula of 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde is C9H6O4.
What is the molecular weight of 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde?
The molecular weight of 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde is 178.03 g/mol.
Where can I buy 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde?
You can request a quote for 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzo[D][1,3]dioxol-5-YL)-2-oxoacetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.