![5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid structure](/static/products/4000/400075-18-5.webp)
5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid
TL;DR: 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid (CAS 400075-18-5) is a chemical compound with molecular formula C15H11ClN2O2 and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid
Also Known As: 5-[2-(4-chlorophenyl)-1-cyano-ethenyl]-1-methyl-pyrrole-2-carboxylic Acid, 5-[2-(4-chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid, 5-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]-1-methyl-1H-pyrrole-2-carboxylic acid
| Molecular Formula | C15H11ClN2O2 |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 3.44088 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0509 |
| Heavy Atoms | 20 |
| Complexity | 721.3221 |
Chemical Identifiers
| CAS Number | 400075-18-5 |
|---|---|
| SMILES | CN1C(=CC=C1C(=O)O)C(=CC2=CC=C(C=C2)Cl)C#N |
Product Overview
5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid (CAS 400075-18-5), with molecular formula C15H11ClN2O2 and molecular weight 286.05 g/mol. IUPAC: 5-[2-(4-chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid.
Chemical Property Profile of 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid
Property Insights of 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid
The XLogP value of 3.44088 indicates that 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic 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 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic 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 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid?
The CAS number of 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid is 400075-18-5.
What is the molecular formula of 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid?
The molecular formula of 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid is C15H11ClN2O2.
What is the molecular weight of 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid?
The molecular weight of 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid is 286.05 g/mol.
Where can I buy 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid?
You can request a quote for 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(4-Chlorophenyl)-1-cyanoethenyl]-1-methylpyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.