![2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid structure](/static/products/105/1054403-54-1.png)
2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid
TL;DR: 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid (CAS 1054403-54-1) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid
Also Known As: 2-[2-[(E)-2-cyano-2-(methylcarbamoyl)ethenyl]phenoxy]acetic Acid, 2-[2-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid, 2-{2-[2-cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 0.80298 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 558.0068 |
Chemical Identifiers
| CAS Number | 1054403-54-1 |
|---|---|
| SMILES | CNC(=O)/C(=C/C1=CC=CC=C1OCC(=O)O)/C#N |
Product Overview
2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid (CAS 1054403-54-1), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: 2-[2-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid.
Chemical Property Profile of 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid
Property Insights of 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid
The XLogP value of 0.80298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid. Following Lipinski's Rule of Five, 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid has 2 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 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid?
The CAS number of 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid is 1054403-54-1.
What is the molecular formula of 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid?
The molecular formula of 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid is C13H12N2O4.
What is the molecular weight of 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid?
The molecular weight of 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid is 260.08 g/mol.
Where can I buy 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid?
You can request a quote for 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-[2-Cyano-2-(methylcarbamoyl)eth-1-en-1-yl]phenoxy}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.