Alpha-cyano-3-nitrocinnamamide
TL;DR: Alpha-cyano-3-nitrocinnamamide (CAS 55629-53-3) 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.
2-cyano-3-(3-nitrophenyl)prop-2-enamide
Also Known As: ALPHA-CYANO-3-NITROCINNAMAMIDE, 2-cyano-3-(3-nitrophenyl)prop-2-enamide, 653-657-6, RefChem:555465
| 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 | 375.0 |
Chemical Identifiers
| CAS Number | 55629-53-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)C(=O)N |
| InChIKey | JBPKJWFWZDZHHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha-cyano-3-nitrocinnamamide (CAS 55629-53-3), with molecular formula C10H7N3O3 and molecular weight 217.05 g/mol. IUPAC: 2-cyano-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of Alpha-cyano-3-nitrocinnamamide
Property Insights of Alpha-cyano-3-nitrocinnamamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha-cyano-3-nitrocinnamamide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha-cyano-3-nitrocinnamamide. Following Lipinski's Rule of Five, Alpha-cyano-3-nitrocinnamamide 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 Alpha-cyano-3-nitrocinnamamide?
The CAS number of Alpha-cyano-3-nitrocinnamamide is 55629-53-3.
What is the molecular formula of Alpha-cyano-3-nitrocinnamamide?
The molecular formula of Alpha-cyano-3-nitrocinnamamide is C10H7N3O3.
What is the molecular weight of Alpha-cyano-3-nitrocinnamamide?
The molecular weight of Alpha-cyano-3-nitrocinnamamide is 217.05 g/mol.
Where can I buy Alpha-cyano-3-nitrocinnamamide?
You can request a quote for Alpha-cyano-3-nitrocinnamamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-cyano-3-nitrocinnamamide?
Yes, KEHONG BIO provides custom synthesis services for Alpha-cyano-3-nitrocinnamamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.