Benzo-1,3-dioxol-5-ol acetate
TL;DR: Benzo-1,3-dioxol-5-ol acetate (CAS 326-58-9) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl acetate
Also Known As: Benzo[d][1,3]dioxol-5-yl acetate, Sesamol Acetate, Benzo-1,3-dioxol-5-ol acetate, 1,3-benzodioxol-5-yl acetate, Paroxetine Impurity 73
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 326-58-9 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)OCO2 |
| InChIKey | QNJMUNKUQDDPCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo-1,3-dioxol-5-ol acetate (CAS 326-58-9), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 1,3-benzodioxol-5-yl acetate.
Chemical Property Profile of Benzo-1,3-dioxol-5-ol acetate
Property Insights of Benzo-1,3-dioxol-5-ol acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo-1,3-dioxol-5-ol acetate. With a topological polar surface area (TPSA) of 44.8 Ų, Benzo-1,3-dioxol-5-ol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo-1,3-dioxol-5-ol acetate 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 Benzo-1,3-dioxol-5-ol acetate?
The CAS number of Benzo-1,3-dioxol-5-ol acetate is 326-58-9.
What is the molecular formula of Benzo-1,3-dioxol-5-ol acetate?
The molecular formula of Benzo-1,3-dioxol-5-ol acetate is C9H8O4.
What is the molecular weight of Benzo-1,3-dioxol-5-ol acetate?
The molecular weight of Benzo-1,3-dioxol-5-ol acetate is 180.04 g/mol.
Where can I buy Benzo-1,3-dioxol-5-ol acetate?
You can request a quote for Benzo-1,3-dioxol-5-ol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo-1,3-dioxol-5-ol acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzo-1,3-dioxol-5-ol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.