![{4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid structure](/static/products/801/801243-32-3.png)
{4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid
TL;DR: {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid (CAS 801243-32-3) is a chemical compound with molecular formula C17H12FNO3 and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetic acid
Also Known As: {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid, 2-[4-[2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetic Acid, (E)-2-(4-(2-cyano-2-(3-fluorophenyl)vinyl)phenoxy)acetic acid, 2-[4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetic acid
| Molecular Formula | C17H12FNO3 |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 3.35328 |
| Topological Polar Surface Area | 70.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.0801 |
| Heavy Atoms | 22 |
| Complexity | 745.2445 |
Chemical Identifiers
| CAS Number | 801243-32-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)/C(=C\C2=CC=C(C=C2)OCC(=O)O)/C#N |
Product Overview
{4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid (CAS 801243-32-3), with molecular formula C17H12FNO3 and molecular weight 297.08 g/mol. IUPAC: 2-[4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetic acid.
Chemical Property Profile of {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid
Property Insights of {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid
The XLogP value of 3.35328 indicates that {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.32 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid. Following Lipinski's Rule of Five, {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid has 1 hydrogen bond donor(s) and 3 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-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid?
The CAS number of {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid is 801243-32-3.
What is the molecular formula of {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid?
The molecular formula of {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid is C17H12FNO3.
What is the molecular weight of {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid?
The molecular weight of {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid is 297.08 g/mol.
Where can I buy {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid?
You can request a quote for {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]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-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.