Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate
TL;DR: Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate (CAS 86259-32-7) is a chemical compound with molecular formula C10H10O5 and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate
Also Known As: methyl 2-(1,3-dioxaindan-5-yl)-2-hydroxyacetate, methyl 1,3-benzodioxol-5-yl(hydroxy)acetate, Methyl 2-(benzo[d][1,3]dioxol-5-yl)-2-hydroxyacetate, methyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate, 3,4-(methylenedioxy)mandelic acid methyl ester
| Molecular Formula | C10H10O5 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.05283 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 86259-32-7 |
|---|---|
| SMILES | COC(=O)C(C1=CC2=C(C=C1)OCO2)O |
| InChIKey | ZJXPBEXOGWFULD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate (CAS 86259-32-7), with molecular formula C10H10O5 and molecular weight 210.05 g/mol. IUPAC: methyl 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetate.
Chemical Property Profile of Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate
Property Insights of Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate. Following Lipinski's Rule of Five, Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate 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 Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate?
The CAS number of Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate is 86259-32-7.
What is the molecular formula of Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate?
The molecular formula of Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate is C10H10O5.
What is the molecular weight of Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate?
The molecular weight of Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate is 210.05 g/mol.
Where can I buy Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate?
You can request a quote for Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,3-benzodioxol-5-yl(hydroxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.