Alpha-cyano-3,4-dimethoxycinnamamide
TL;DR: Alpha-cyano-3,4-dimethoxycinnamamide (CAS 19310-63-5) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
Also Known As: NCIStruc1_000892, NCIStruc2_000939, 2-cyano-3-(3,4-dimethoxyphenyl)acrylamide, ALPHA-CYANO-3,4-DIMETHOXYCINNAMAMIDE, NCI60_000769
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 19310-63-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C#N)C(=O)N)OC |
| InChIKey | UHGNGGISEFEZHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha-cyano-3,4-dimethoxycinnamamide (CAS 19310-63-5), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of Alpha-cyano-3,4-dimethoxycinnamamide
Property Insights of Alpha-cyano-3,4-dimethoxycinnamamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha-cyano-3,4-dimethoxycinnamamide. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha-cyano-3,4-dimethoxycinnamamide. Following Lipinski's Rule of Five, Alpha-cyano-3,4-dimethoxycinnamamide 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-3,4-dimethoxycinnamamide?
The CAS number of Alpha-cyano-3,4-dimethoxycinnamamide is 19310-63-5.
What is the molecular formula of Alpha-cyano-3,4-dimethoxycinnamamide?
The molecular formula of Alpha-cyano-3,4-dimethoxycinnamamide is C12H12N2O3.
What is the molecular weight of Alpha-cyano-3,4-dimethoxycinnamamide?
The molecular weight of Alpha-cyano-3,4-dimethoxycinnamamide is 232.08 g/mol.
Where can I buy Alpha-cyano-3,4-dimethoxycinnamamide?
You can request a quote for Alpha-cyano-3,4-dimethoxycinnamamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-cyano-3,4-dimethoxycinnamamide?
Yes, KEHONG BIO provides custom synthesis services for Alpha-cyano-3,4-dimethoxycinnamamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.