alpha-Cyano-3,4,5-trimethoxy-cinnamamide
TL;DR: alpha-Cyano-3,4,5-trimethoxy-cinnamamide (CAS 42864-53-9) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Also Known As: alpha-cyano-3,4,5-trimethoxy-cinnamamide, ALPHA-CYANO-3,4,5-TRIMETHOXYCINNAMIDE, 2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, 2-Cyano-3-(3,4,5-trimethoxyphenyl)prop-2-en-amide
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 42864-53-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)N |
| InChIKey | SULXVPFOQLMBGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Cyano-3,4,5-trimethoxy-cinnamamide (CAS 42864-53-9), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: 2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of alpha-Cyano-3,4,5-trimethoxy-cinnamamide
Property Insights of alpha-Cyano-3,4,5-trimethoxy-cinnamamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Cyano-3,4,5-trimethoxy-cinnamamide. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Cyano-3,4,5-trimethoxy-cinnamamide. Following Lipinski's Rule of Five, alpha-Cyano-3,4,5-trimethoxy-cinnamamide has 1 hydrogen bond donor(s) and 5 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-3,4,5-trimethoxy-cinnamamide?
The CAS number of alpha-Cyano-3,4,5-trimethoxy-cinnamamide is 42864-53-9.
What is the molecular formula of alpha-Cyano-3,4,5-trimethoxy-cinnamamide?
The molecular formula of alpha-Cyano-3,4,5-trimethoxy-cinnamamide is C13H14N2O4.
What is the molecular weight of alpha-Cyano-3,4,5-trimethoxy-cinnamamide?
The molecular weight of alpha-Cyano-3,4,5-trimethoxy-cinnamamide is 262.10 g/mol.
Where can I buy alpha-Cyano-3,4,5-trimethoxy-cinnamamide?
You can request a quote for alpha-Cyano-3,4,5-trimethoxy-cinnamamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Cyano-3,4,5-trimethoxy-cinnamamide?
Yes, KEHONG BIO provides custom synthesis services for alpha-Cyano-3,4,5-trimethoxy-cinnamamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.