Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate
TL;DR: Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate (CAS 299207-61-7) is a chemical compound with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate;pyridin-1-ium
Also Known As: pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate, pyridium 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate, (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate; pyridin-1-ium, IUPAC: (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate; 1H-pyridine
| Molecular Formula | C17H16N2O4 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 0.86138 |
| Topological Polar Surface Area | 96.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.111 |
| Heavy Atoms | 23 |
| Complexity | 679.5702 |
Chemical Identifiers
| CAS Number | 299207-61-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)[O-])OC.C1=CC=[NH+]C=C1 |
Product Overview
Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate (CAS 299207-61-7), with molecular formula C17H16N2O4 and molecular weight 312.11 g/mol. IUPAC: (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate;pyridin-1-ium.
Chemical Property Profile of Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate
Property Insights of Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate
The XLogP value of 0.86138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate. The TPSA of 96.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate. Following Lipinski's Rule of Five, Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate has 0 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 Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate?
The CAS number of Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate is 299207-61-7.
What is the molecular formula of Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate?
The molecular formula of Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate is C17H16N2O4.
What is the molecular weight of Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate?
The molecular weight of Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate is 312.11 g/mol.
Where can I buy Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate?
You can request a quote for Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium 2-cyano-3-(3,4-dimethoxyphenyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.