alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide
TL;DR: alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide (CAS 55801-65-5) is a chemical compound with molecular formula C12H11N3O5 and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enamide
Also Known As: 2-Cyano-3-(4,5-dimethoxy-2-nitrophenyl)acrylamide, 2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enamide, 2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enamide, 2-Propenamide, 2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)-, alpha-Cyano -beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide
| Molecular Formula | C12H11N3O5 |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 1.00428 |
| Topological Polar Surface Area | 128.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.0699 |
| Heavy Atoms | 20 |
| Complexity | 630.71533 |
Chemical Identifiers
| CAS Number | 55801-65-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C=C(C#N)C(=O)N)[N+](=O)[O-])OC |
Product Overview
alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide (CAS 55801-65-5), with molecular formula C12H11N3O5 and molecular weight 277.07 g/mol. IUPAC: 2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enamide.
Chemical Property Profile of alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide
Property Insights of alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide
The XLogP value of 1.00428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide. The TPSA of 128.48 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide. Following Lipinski's Rule of Five, alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide 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 alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide?
The CAS number of alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide is 55801-65-5.
What is the molecular formula of alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide?
The molecular formula of alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide is C12H11N3O5.
What is the molecular weight of alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide?
The molecular weight of alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide is 277.07 g/mol.
Where can I buy alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide?
You can request a quote for alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide?
Yes, KEHONG BIO provides custom synthesis services for alpha-Cyano-beta-(2-Nitro-4,5-Dimethoxyphenyl)Acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.