5-(Diethoxymethyl)-1,3-benzodioxole
TL;DR: 5-(Diethoxymethyl)-1,3-benzodioxole (CAS 40527-42-2) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diethoxymethyl)-1,3-benzodioxole
Also Known As: Heliotropin DEA, Piperonal diethyl acetal, Piperonal, diethyl acetal, 1,3-Benzodioxole, 5-(diethoxymethyl)-, 5-(diethoxymethyl)-1,3-benzodioxole
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 40527-42-2 |
|---|---|
| SMILES | CCOC(C1=CC2=C(C=C1)OCO2)OCC |
| InChIKey | YDQLGNDCYHZHEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Diethoxymethyl)-1,3-benzodioxole (CAS 40527-42-2), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: 5-(diethoxymethyl)-1,3-benzodioxole.
Chemical Property Profile of 5-(Diethoxymethyl)-1,3-benzodioxole
Property Insights of 5-(Diethoxymethyl)-1,3-benzodioxole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Diethoxymethyl)-1,3-benzodioxole. With a topological polar surface area (TPSA) of 36.9 Ų, 5-(Diethoxymethyl)-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Diethoxymethyl)-1,3-benzodioxole 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 5-(Diethoxymethyl)-1,3-benzodioxole?
The CAS number of 5-(Diethoxymethyl)-1,3-benzodioxole is 40527-42-2.
What is the molecular formula of 5-(Diethoxymethyl)-1,3-benzodioxole?
The molecular formula of 5-(Diethoxymethyl)-1,3-benzodioxole is C12H16O4.
What is the molecular weight of 5-(Diethoxymethyl)-1,3-benzodioxole?
The molecular weight of 5-(Diethoxymethyl)-1,3-benzodioxole is 224.10 g/mol.
Where can I buy 5-(Diethoxymethyl)-1,3-benzodioxole?
You can request a quote for 5-(Diethoxymethyl)-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Diethoxymethyl)-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Diethoxymethyl)-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.