![2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid structure](/static/products/105/1058173-51-5.webp)
2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
TL;DR: 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid (CAS 1058173-51-5) is a chemical compound with molecular formula C19H16N2O4 and molecular weight 336.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid
Also Known As: 2-(2-{2-cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid, 2-[2-[(E)-2-cyano-2-[(3-methylphenyl)carbamoyl]ethenyl]phenoxy]acetic Acid, 2-[2-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid
Technical Specifications
| Molecular Formula | C19H16N2O4 |
| Molecular Weight | 336.111 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.111 Da |
| Heavy Atoms | 25 |
| Complexity | 563.0 |
| SMILES | CC1=CC(=CC=C1)NC(=O)/C(=C/C2=CC=CC=C2OCC(=O)O)/C#N |
| InChIKey | SXMWUFNMYVGQND-XNTDXEJSSA-N |
Chemical Property Profile of 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
Property Insights of 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
The XLogP value of 3.6 indicates that 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid. Following Lipinski's Rule of Five, 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic 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 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The CAS number of 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is 1058173-51-5.
What is the molecular formula of 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The molecular formula of 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is C19H16N2O4.
What is the molecular weight of 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The molecular weight of 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is 336.111 g/mol.
Where can I buy 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
You can request a quote for 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2-{2-Cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.