![{6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate structure](/static/products/109/109129-70-6.png)
{6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate
TL;DR: {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate (CAS 109129-70-6) is a chemical compound with molecular formula C13H14O6 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(acetyloxymethyl)-1,3-benzodioxol-5-yl]methyl acetate
Also Known As: {6-[(acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate, AP-065/41884086, [6-(acetyloxymethyl)-1,3-benzodioxol-5-yl]methyl acetate
| Molecular Formula | C13H14O6 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.07904 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 109129-70-6 |
|---|---|
| SMILES | CC(=O)OCC1=CC2=C(C=C1COC(=O)C)OCO2 |
| InChIKey | USTPGOWSFZSWGS-UHFFFAOYSA-N |
Product Overview
{6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate (CAS 109129-70-6), with molecular formula C13H14O6 and molecular weight 266.08 g/mol. IUPAC: [6-(acetyloxymethyl)-1,3-benzodioxol-5-yl]methyl acetate.
Chemical Property Profile of {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate
Property Insights of {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate. Following Lipinski's Rule of Five, {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate 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 {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate?
The CAS number of {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate is 109129-70-6.
What is the molecular formula of {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate?
The molecular formula of {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate is C13H14O6.
What is the molecular weight of {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate?
The molecular weight of {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate is 266.08 g/mol.
Where can I buy {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate?
You can request a quote for {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for {6-[(Acetyloxy)methyl]-1,3-benzodioxol-5-yl}methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.