![5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid structure](/static/products/6116/6116-62-7.webp)
5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
TL;DR: 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid (CAS 6116-62-7) is a chemical compound with molecular formula C26H23N3O5 and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylic acid
Also Known As: 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid, 5-[3-[2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylic acid
| Molecular Formula | C26H23N3O5 |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 4.59862 |
| Topological Polar Surface Area | 132.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.16376 |
| Heavy Atoms | 34 |
| Complexity | 1326.0583 |
Chemical Identifiers
| CAS Number | 6116-62-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC(=CC(=C3)C(=O)O)C(=O)O)C)C#N |
Product Overview
5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid (CAS 6116-62-7), with molecular formula C26H23N3O5 and molecular weight 457.16 g/mol. IUPAC: 5-[3-[2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
Property Insights of 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid
The XLogP value of 4.59862 indicates that 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid has 3 hydrogen bond donor(s) and 4 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-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid?
The CAS number of 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid is 6116-62-7.
What is the molecular formula of 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid?
The molecular formula of 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid is C26H23N3O5.
What is the molecular weight of 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid?
The molecular weight of 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid is 457.16 g/mol.
Where can I buy 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid?
You can request a quote for 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{3-[2-Cyano-3-(4-ethylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.