(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide (CAS 588674-87-7) is a chemical compound with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide
Also Known As: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide, 3-benzo[1,3]dioxol-5-yl-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide, (2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide, (2E)-3-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-N-(2,5-dimethoxyphenyl)-2-cyanoprop- 2-enamide
| Molecular Formula | C19H16N2O5 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 2.97818 |
| Topological Polar Surface Area | 89.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.10593 |
| Heavy Atoms | 26 |
| Complexity | 914.63086 |
Chemical Identifiers
| CAS Number | 588674-87-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C#N |
Product Overview
(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide (CAS 588674-87-7), with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide
The XLogP value of 2.97818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide. The TPSA of 89.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 6 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 (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide is 588674-87-7.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide is C19H16N2O5.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide is 352.11 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.