![2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid structure](/static/products/105/1054547-38-4.png)
2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
TL;DR: 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid (CAS 1054547-38-4) is a chemical compound with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid
Also Known As: 2-(2-{2-cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid, 2-[2-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid, 2-[2-[(E)-2-cyano-2-[(2,4-dimethylphenyl)carbamoyl]ethenyl]phenoxy]acetic Acid
| Molecular Formula | C20H18N2O4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 3.31252 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.12665 |
| Heavy Atoms | 26 |
| Complexity | 910.26746 |
Chemical Identifiers
| CAS Number | 1054547-38-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OCC(=O)O)/C#N)C |
Product Overview
2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid (CAS 1054547-38-4), with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol. IUPAC: 2-[2-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid.
Chemical Property Profile of 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
Property Insights of 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid
The XLogP value of 3.31252 indicates that 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)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 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid. Following Lipinski's Rule of Five, 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]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-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The CAS number of 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is 1054547-38-4.
What is the molecular formula of 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The molecular formula of 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is C20H18N2O4.
What is the molecular weight of 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
The molecular weight of 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid is 350.13 g/mol.
Where can I buy 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
You can request a quote for 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]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-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-{2-Cyano-2-[(2,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.