Methyl piperonylate
TL;DR: Methyl piperonylate (CAS 326-56-7) 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.
methyl 1,3-benzodioxole-5-carboxylate
Also Known As: Methyl piperonylate, Methyl 1,3-benzodioxole-5-carboxylate, methyl benzo[d][1,3]dioxole-5-carboxylate, Methyl 3,4-methylenedioxybenzoate, Piperonylic acid, methyl ester
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.4 |
| 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 | 326-56-7 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)OCO2 |
| InChIKey | QCHGUEIECOASJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl piperonylate (CAS 326-56-7), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: methyl 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of Methyl piperonylate
Property Insights of Methyl piperonylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl piperonylate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl piperonylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl piperonylate 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 Methyl piperonylate?
The CAS number of Methyl piperonylate is 326-56-7.
What is the molecular formula of Methyl piperonylate?
The molecular formula of Methyl piperonylate is C9H8O4.
What is the molecular weight of Methyl piperonylate?
The molecular weight of Methyl piperonylate is 180.04 g/mol.
Where can I buy Methyl piperonylate?
You can request a quote for Methyl piperonylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl piperonylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl piperonylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.