3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide
TL;DR: 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide (CAS 40951-05-1) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide
Also Known As: N,N-Diethyl-3,4-methylenedioxycinnamamide, AI3-20848, 3-(1,3-Benzodioxol-5-yl)-N,N-diethyl-2-propenamide, 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N,N-diethyl-, 4-19-00-03549 (Beilstein Handbook Reference)
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 40951-05-1 |
|---|---|
| SMILES | CCN(CC)C(=O)C=CC1=CC2=C(C=C1)OCO2 |
| InChIKey | DEQSVZNNNQWMJW-UHFFFAOYSA-N |
Product Overview
3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide (CAS 40951-05-1), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide.
Chemical Property Profile of 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide
Property Insights of 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide. With a topological polar surface area (TPSA) of 38.8 Ų, 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide 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 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide?
The CAS number of 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide is 40951-05-1.
What is the molecular formula of 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide?
The molecular formula of 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide is C14H17NO3.
What is the molecular weight of 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide?
The molecular weight of 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide is 247.12 g/mol.
Where can I buy 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide?
You can request a quote for 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2H-1,3-benzodioxol-5-yl)-N,N-diethylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.