![4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid structure](/static/products/100/1004492-06-1.webp)
4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid
TL;DR: 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid (CAS 1004492-06-1) is a chemical compound with molecular formula C16H12N2O3S and molecular weight 312.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid
Also Known As: 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid, 4-[2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamido]benzoic acid
Technical Specifications
| Molecular Formula | C16H12N2O3S |
| Molecular Weight | 312.05685 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.05685 Da |
| Heavy Atoms | 22 |
| Complexity | 515.0 |
| SMILES | CC1=CC=C(S1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | YJQBDXJJOHWOQM-XYOKQWHBSA-N |
Chemical Property Profile of 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid
Property Insights of 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid
The XLogP value of 3.3 indicates that 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid. Following Lipinski's Rule of Five, 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid?
The CAS number of 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid is 1004492-06-1.
What is the molecular formula of 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid?
The molecular formula of 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid is C16H12N2O3S.
What is the molecular weight of 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid?
The molecular weight of 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid is 312.05685 g/mol.
Where can I buy 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid?
You can request a quote for 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.