Methyl 3-(1,3-benzodioxol-5-yl)acrylate
TL;DR: Methyl 3-(1,3-benzodioxol-5-yl)acrylate (CAS 40918-96-5) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate
Also Known As: Methyl 3-(1,3-benzodioxol-5-yl)acrylate, Bionet2_001119, methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate, methyl (E)-3-(1,3-benzodioxol-5-yl)-2-propenoate, Methyl 3-(benzo[d][1,3]dioxol-5-yl)acrylate
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 40918-96-5 |
|---|---|
| SMILES | COC(=O)C=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | WPNYKVVEDMUXTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(1,3-benzodioxol-5-yl)acrylate (CAS 40918-96-5), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate.
Chemical Property Profile of Methyl 3-(1,3-benzodioxol-5-yl)acrylate
Property Insights of Methyl 3-(1,3-benzodioxol-5-yl)acrylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1,3-benzodioxol-5-yl)acrylate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl 3-(1,3-benzodioxol-5-yl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(1,3-benzodioxol-5-yl)acrylate 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 3-(1,3-benzodioxol-5-yl)acrylate?
The CAS number of Methyl 3-(1,3-benzodioxol-5-yl)acrylate is 40918-96-5.
What is the molecular formula of Methyl 3-(1,3-benzodioxol-5-yl)acrylate?
The molecular formula of Methyl 3-(1,3-benzodioxol-5-yl)acrylate is C11H10O4.
What is the molecular weight of Methyl 3-(1,3-benzodioxol-5-yl)acrylate?
The molecular weight of Methyl 3-(1,3-benzodioxol-5-yl)acrylate is 206.06 g/mol.
Where can I buy Methyl 3-(1,3-benzodioxol-5-yl)acrylate?
You can request a quote for Methyl 3-(1,3-benzodioxol-5-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(1,3-benzodioxol-5-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1,3-benzodioxol-5-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.