![2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid structure](/static/products/861/861452-87-1.png)
2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid
TL;DR: 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid (CAS 861452-87-1) is a chemical compound with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid
Also Known As: [4-(2-Carbamoyl-2-cyano-vinyl)-2-ethoxy-phenoxy]-acetic acid|2-[4-(2-carbamoyl-2-cyano-ethenyl)-2-ethoxy-phenoxy]acetic Acid|2-[4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid
| Molecular Formula | C14H14N2O5 |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | 0.94098 |
| Topological Polar Surface Area | 122.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.09027 |
| Heavy Atoms | 21 |
| Complexity | 616.28064 |
Chemical Identifiers
| CAS Number | 861452-87-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OCC(=O)O |
Product Overview
2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid (CAS 861452-87-1), with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol. IUPAC: 2-[4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid.
Chemical Property Profile of 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid
Property Insights of 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid
The XLogP value of 0.94098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid. The TPSA of 122.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid. Following Lipinski's Rule of Five, 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]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
Frequently Asked Questions
What is the CAS number of 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid?
The CAS number of 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid is 861452-87-1.
What is the molecular formula of 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid?
The molecular formula of 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid is C14H14N2O5.
What is the molecular weight of 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid?
The molecular weight of 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid is 290.09 g/mol.
Where can I buy 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid?
You can request a quote for 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]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-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(3-Amino-2-cyano-3-oxoprop-1-enyl)-2-ethoxyphenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.