Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate
TL;DR: Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate (CAS 108724-69-2) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate
Also Known As: benzo[1,3]dioxol-5-yl-hydroxy-acetic acid allyl ester, prop-2-en-1-yl 1,3-benzodioxol-5-yl(hydroxy)acetate, prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 108724-69-2 |
|---|---|
| SMILES | C=CCOC(=O)C(C1=CC2=C(C=C1)OCO2)O |
| InChIKey | QVQWGRMMPBPHJC-UHFFFAOYSA-N |
Product Overview
Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate (CAS 108724-69-2), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate.
Chemical Property Profile of Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate
Property Insights of Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate. Following Lipinski's Rule of Five, Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate has 1 hydrogen bond donor(s) and 5 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 Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate?
The CAS number of Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate is 108724-69-2.
What is the molecular formula of Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate?
The molecular formula of Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate is C12H12O5.
What is the molecular weight of Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate?
The molecular weight of Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate is 236.07 g/mol.
Where can I buy Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate?
You can request a quote for Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-enyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.