![[4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid structure](/static/products/348/348575-55-3.png)
[4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid
TL;DR: [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid (CAS 348575-55-3) is a chemical compound with molecular formula C23H21BrN2O5 and molecular weight 484.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxy-6-prop-2-enylphenoxy]acetic acid
Also Known As: [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid|(E)-2-(2-allyl-4-(3-((3-bromophenyl)amino)-2-cyano-3-oxoprop-1-en-1-yl)-6-ethoxyphenoxy)acetic acid|2-[4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxy-6-prop-2-enylphenoxy]acetic acid|2-[4-[2-[(3-bromophenyl)carbamoyl]-2-cyano-ethenyl]-2-ethoxy-6-prop-2-enyl-phenoxy]acetic Acid
| Molecular Formula | C23H21BrN2O5 |
|---|---|
| Molecular Weight | 484.06 g/mol |
| LogP | 4.58538 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 484.0634 |
| Heavy Atoms | 31 |
| Complexity | 1056.4177 |
Chemical Identifiers
| CAS Number | 348575-55-3 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC(=O)O)CC=C)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)Br |
Product Overview
[4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid (CAS 348575-55-3), with molecular formula C23H21BrN2O5 and molecular weight 484.06 g/mol. IUPAC: 2-[4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxy-6-prop-2-enylphenoxy]acetic acid.
Chemical Property Profile of [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid
Property Insights of [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid
The XLogP value of 4.58538 indicates that [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.65 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid. Following Lipinski's Rule of Five, [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-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
Frequently Asked Questions
What is the CAS number of [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
The CAS number of [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid is 348575-55-3.
What is the molecular formula of [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
The molecular formula of [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid is C23H21BrN2O5.
What is the molecular weight of [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
The molecular weight of [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid is 484.06 g/mol.
Where can I buy [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
You can request a quote for [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-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 [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [4-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-(prop-2-en-1-yl)phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.