2-Cyano-3-(4-nitrophenyl)acrylamide
TL;DR: 2-Cyano-3-(4-nitrophenyl)acrylamide (CAS 55629-54-4) is a chemical compound with molecular formula C10H7N3O3 and molecular weight 217.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
Also Known As: alpha-Cyano-4-nitrocinnamamide, A-cyano-p-nitrocinnamamide, 2-cyano-3-(4-nitrophenyl)acrylamide, p-nitrobenzylidenecyanoacetamide, (E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
| Molecular Formula | C10H7N3O3 |
|---|---|
| Molecular Weight | 217.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.04874 |
| Heavy Atoms | 16 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 55629-54-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C#N)/C(=O)N)[N+](=O)[O-] |
| InChIKey | VIDRAZPPCGWQKU-VMPITWQZSA-N |
Product Overview
2-Cyano-3-(4-nitrophenyl)acrylamide (CAS 55629-54-4), with molecular formula C10H7N3O3 and molecular weight 217.05 g/mol. IUPAC: (E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide.
Chemical Property Profile of 2-Cyano-3-(4-nitrophenyl)acrylamide
Property Insights of 2-Cyano-3-(4-nitrophenyl)acrylamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(4-nitrophenyl)acrylamide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(4-nitrophenyl)acrylamide. Following Lipinski's Rule of Five, 2-Cyano-3-(4-nitrophenyl)acrylamide has 1 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 2-Cyano-3-(4-nitrophenyl)acrylamide?
The CAS number of 2-Cyano-3-(4-nitrophenyl)acrylamide is 55629-54-4.
What is the molecular formula of 2-Cyano-3-(4-nitrophenyl)acrylamide?
The molecular formula of 2-Cyano-3-(4-nitrophenyl)acrylamide is C10H7N3O3.
What is the molecular weight of 2-Cyano-3-(4-nitrophenyl)acrylamide?
The molecular weight of 2-Cyano-3-(4-nitrophenyl)acrylamide is 217.05 g/mol.
Where can I buy 2-Cyano-3-(4-nitrophenyl)acrylamide?
You can request a quote for 2-Cyano-3-(4-nitrophenyl)acrylamide 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-(4-nitrophenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(4-nitrophenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.