2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide
TL;DR: 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide (CAS 847838-33-9) is a chemical compound with molecular formula C23H15N3O6 and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide
Also Known As: 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide, 2-cyano-3-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide, 2-cyano-3-(6-nitrobenzo[1,3]dioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide
| Molecular Formula | C23H15N3O6 |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 4.66148 |
| Topological Polar Surface Area | 123.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.0961 |
| Heavy Atoms | 32 |
| Complexity | 1264.4685 |
Chemical Identifiers
| CAS Number | 847838-33-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NC3=CC=CC=C3OC4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide (CAS 847838-33-9), with molecular formula C23H15N3O6 and molecular weight 429.10 g/mol. IUPAC: 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide.
Chemical Property Profile of 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide
Property Insights of 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide
The XLogP value of 4.66148 indicates that 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 7 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-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide?
The CAS number of 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide is 847838-33-9.
What is the molecular formula of 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide?
The molecular formula of 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide is C23H15N3O6.
What is the molecular weight of 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide?
The molecular weight of 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide is 429.10 g/mol.
Where can I buy 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide?
You can request a quote for 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)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 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.