![{5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid structure](/static/products/3403/340301-68-0.webp)
{5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid
TL;DR: {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid (CAS 340301-68-0) is a chemical compound with molecular formula C19H15BrN2O5 and molecular weight 430.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-5-bromo-2-methoxyphenoxy]acetic acid
Also Known As: {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid, (Z)-2-(5-bromo-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-2-methoxyphenoxy)acetic acid, 2-[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-5-bromo-2-methoxyphenoxy]acetic acid, 2-[5-bromo-4-[2-cyano-2-(phenylcarbamoyl)ethenyl]-2-methoxy-phenoxy]acetic Acid
| Molecular Formula | C19H15BrN2O5 |
|---|---|
| Molecular Weight | 430.02 g/mol |
| LogP | 3.46678 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.01642 |
| Heavy Atoms | 27 |
| Complexity | 919.6875 |
Chemical Identifiers
| CAS Number | 340301-68-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C(/C#N)\C(=O)NC2=CC=CC=C2)Br)OCC(=O)O |
Product Overview
{5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid (CAS 340301-68-0), with molecular formula C19H15BrN2O5 and molecular weight 430.02 g/mol. IUPAC: 2-[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-5-bromo-2-methoxyphenoxy]acetic acid.
Chemical Property Profile of {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid
Property Insights of {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid
The XLogP value of 3.46678 indicates that {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}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 {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid. Following Lipinski's Rule of Five, {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}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 {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid?
The CAS number of {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid is 340301-68-0.
What is the molecular formula of {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid?
The molecular formula of {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid is C19H15BrN2O5.
What is the molecular weight of {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid?
The molecular weight of {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid is 430.02 g/mol.
Where can I buy {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid?
You can request a quote for {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.