2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl-
TL;DR: 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl- (CAS 6974-47-6) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enal
Also Known As: Piperonylidene propionaldehyde, (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enal, 3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enal, 2-Propenal, 3-(1,3-benzodioxol-5-yl)-2-methyl-, 2-PROPENAL,3-(1,3-BENZODIOXOL-5-YL)-2-METHYL-
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 6974-47-6 |
|---|---|
| SMILES | CC(=CC1=CC2=C(C=C1)OCO2)C=O |
| InChIKey | VLNPUVFEUOBXDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl- (CAS 6974-47-6), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enal.
Chemical Property Profile of 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl-
Property Insights of 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl-. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl- has 0 hydrogen bond donor(s) and 3 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 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl-?
The CAS number of 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl- is 6974-47-6.
What is the molecular formula of 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl-?
The molecular formula of 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl- is C11H10O3.
What is the molecular weight of 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl-?
The molecular weight of 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl- is 190.06 g/mol.
Where can I buy 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl-?
You can request a quote for 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.