3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide
TL;DR: 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide (CAS 59832-20-1) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide
Also Known As: 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide, (Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethyl-2-propenamide
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 2.19068 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 583.27167 |
Chemical Identifiers
| CAS Number | 59832-20-1 |
|---|---|
| SMILES | CCN(CC)C(=O)C(=CC1=CC2=C(C=C1)OCO2)C#N |
Product Overview
3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide (CAS 59832-20-1), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide
Property Insights of 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide
The XLogP value of 2.19068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide 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 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide?
The CAS number of 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide is 59832-20-1.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide is C15H16N2O3.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide is 272.12 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-2-cyano-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-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.