(E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide (CAS 86181-73-9) is a chemical compound with molecular formula C16H12N2O5 and molecular weight 312.07 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)-N-(4-nitrophenyl)prop-2-enamide
Also Known As: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide, 3-(1,3-benzodioxol-5-yl)-N-{4-nitrophenyl}acrylamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide, (2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-N-(4-nitrophenyl)prop-2-enamide
| Molecular Formula | C16H12N2O5 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 2.9754 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.07462 |
| Heavy Atoms | 23 |
| Complexity | 783.5576 |
Chemical Identifiers
| CAS Number | 86181-73-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide (CAS 86181-73-9), with molecular formula C16H12N2O5 and molecular weight 312.07 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide.
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide
The XLogP value of 2.9754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 5 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)-N-(4-nitrophenyl)prop-2-enamide?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide is 86181-73-9.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide is C16H12N2O5.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide is 312.07 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)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)-N-(4-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.