1,3-Benzodioxol-5-ylmethanediyl diacetate
TL;DR: 1,3-Benzodioxol-5-ylmethanediyl diacetate (CAS 6962-73-8) is a chemical compound with molecular formula C12H12O6 and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy(1,3-benzodioxol-5-yl)methyl] acetate
Also Known As: Piperonal diacetyl acetal, 1,3-benzodioxol-5-ylmethanediyl diacetate, 3,4-Methylenedioxybenzylidenediacetate, 5-(Diacetoxymethyl)-1,3-benzodioxole, 1,3-Benzodioxole-5-ylmethylenediacetate
| Molecular Formula | C12H12O6 |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.06339 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 6962-73-8 |
|---|---|
| SMILES | CC(=O)OC(C1=CC2=C(C=C1)OCO2)OC(=O)C |
| InChIKey | KLVFTBKCHDAZFB-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-5-ylmethanediyl diacetate (CAS 6962-73-8), with molecular formula C12H12O6 and molecular weight 252.06 g/mol. IUPAC: [acetyloxy(1,3-benzodioxol-5-yl)methyl] acetate.
Chemical Property Profile of 1,3-Benzodioxol-5-ylmethanediyl diacetate
Property Insights of 1,3-Benzodioxol-5-ylmethanediyl diacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-ylmethanediyl diacetate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxol-5-ylmethanediyl diacetate. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-ylmethanediyl diacetate has 0 hydrogen bond donor(s) and 6 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-Benzodioxol-5-ylmethanediyl diacetate?
The CAS number of 1,3-Benzodioxol-5-ylmethanediyl diacetate is 6962-73-8.
What is the molecular formula of 1,3-Benzodioxol-5-ylmethanediyl diacetate?
The molecular formula of 1,3-Benzodioxol-5-ylmethanediyl diacetate is C12H12O6.
What is the molecular weight of 1,3-Benzodioxol-5-ylmethanediyl diacetate?
The molecular weight of 1,3-Benzodioxol-5-ylmethanediyl diacetate is 252.06 g/mol.
Where can I buy 1,3-Benzodioxol-5-ylmethanediyl diacetate?
You can request a quote for 1,3-Benzodioxol-5-ylmethanediyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-ylmethanediyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-ylmethanediyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.