Benzo-1,3-dioxole-5-methanol propanoate
TL;DR: Benzo-1,3-dioxole-5-methanol propanoate (CAS 6890-26-2) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl propanoate
Also Known As: PIPERONYL PROPIONATE, 1,3-benzodioxol-5-ylmethyl propanoate, NCIOpen2_003328, Benzo-1,3-dioxole-5-methanol propanoate, 2H-1,3-benzodioxol-5-ylmethyl propanoate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 6890-26-2 |
|---|---|
| SMILES | CCC(=O)OCC1=CC2=C(C=C1)OCO2 |
| InChIKey | FVRCUNZJSLRIKU-UHFFFAOYSA-N |
Product Overview
Benzo-1,3-dioxole-5-methanol propanoate (CAS 6890-26-2), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl propanoate.
Chemical Property Profile of Benzo-1,3-dioxole-5-methanol propanoate
Property Insights of Benzo-1,3-dioxole-5-methanol propanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo-1,3-dioxole-5-methanol propanoate. With a topological polar surface area (TPSA) of 44.8 Ų, Benzo-1,3-dioxole-5-methanol propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo-1,3-dioxole-5-methanol propanoate 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-dioxole-5-methanol propanoate?
The CAS number of Benzo-1,3-dioxole-5-methanol propanoate is 6890-26-2.
What is the molecular formula of Benzo-1,3-dioxole-5-methanol propanoate?
The molecular formula of Benzo-1,3-dioxole-5-methanol propanoate is C11H12O4.
What is the molecular weight of Benzo-1,3-dioxole-5-methanol propanoate?
The molecular weight of Benzo-1,3-dioxole-5-methanol propanoate is 208.07 g/mol.
Where can I buy Benzo-1,3-dioxole-5-methanol propanoate?
You can request a quote for Benzo-1,3-dioxole-5-methanol propanoate 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-dioxole-5-methanol propanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzo-1,3-dioxole-5-methanol propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.