![4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid structure](/static/products/801/801243-54-9.png)
4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid
TL;DR: 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid (CAS 801243-54-9) is a chemical compound with molecular formula C20H13FN2O2 and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]pyrrol-1-yl]benzoic acid
Also Known As: 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid, 4-[2-[2-cyano-2-(3-fluorophenyl)ethenyl]pyrrol-1-yl]benzoic Acid, (E)-4-(2-(2-cyano-2-(3-fluorophenyl)vinyl)-1H-pyrrol-1-yl)benzoic acid, 4-[2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]pyrrol-1-yl]benzoic acid
| Molecular Formula | C20H13FN2O2 |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 4.37878 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.0961 |
| Heavy Atoms | 25 |
| Complexity | 995.03564 |
Chemical Identifiers
| CAS Number | 801243-54-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)/C(=C\C2=CC=CN2C3=CC=C(C=C3)C(=O)O)/C#N |
Product Overview
4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid (CAS 801243-54-9), with molecular formula C20H13FN2O2 and molecular weight 332.10 g/mol. IUPAC: 4-[2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]pyrrol-1-yl]benzoic acid.
Chemical Property Profile of 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid
Property Insights of 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid
The XLogP value of 4.37878 indicates that 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic 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 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid. Following Lipinski's Rule of Five, 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic 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 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid?
The CAS number of 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid is 801243-54-9.
What is the molecular formula of 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid?
The molecular formula of 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid is C20H13FN2O2.
What is the molecular weight of 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid?
The molecular weight of 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid is 332.10 g/mol.
Where can I buy 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid?
You can request a quote for 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-1H-pyrrol-1-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.