![{3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid structure](/static/products/831/831232-54-3.png)
{3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid
TL;DR: {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid (CAS 831232-54-3) is a chemical compound with molecular formula C19H13FN2O2 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]indol-1-yl]acetic acid
Also Known As: {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid, 2-[3-[2-cyano-2-(3-fluorophenyl)ethenyl]indol-1-yl]acetic Acid, (E)-2-(3-(2-cyano-2-(3-fluorophenyl)vinyl)-1H-indol-1-yl)acetic acid, 2-[3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]indol-1-yl]acetic acid
| Molecular Formula | C19H13FN2O2 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 3.92918 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.0961 |
| Heavy Atoms | 24 |
| Complexity | 996.0146 |
Chemical Identifiers
| CAS Number | 831232-54-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C(/C#N)\C3=CC(=CC=C3)F |
Product Overview
{3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid (CAS 831232-54-3), with molecular formula C19H13FN2O2 and molecular weight 320.10 g/mol. IUPAC: 2-[3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]indol-1-yl]acetic acid.
Chemical Property Profile of {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid
Property Insights of {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid
The XLogP value of 3.92918 indicates that {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.02 Ų falls within the moderate polarity range, balancing permeability and solubility for {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid. Following Lipinski's Rule of Five, {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid has 1 hydrogen bond donor(s) and 2 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 {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid?
The CAS number of {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid is 831232-54-3.
What is the molecular formula of {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid?
The molecular formula of {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid is C19H13FN2O2.
What is the molecular weight of {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid?
The molecular weight of {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid is 320.10 g/mol.
Where can I buy {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid?
You can request a quote for {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {3-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-indol-1-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.