5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid
TL;DR: 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid (CAS 131172-69-5) is a chemical compound with molecular formula C13H10ClNO2 and molecular weight 247.04001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid
Also Known As: 5-(4-Chloro-phenyl)-1-vinyl-1H-pyrrole-2-carboxylic acid, BAS 01184240, 5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid, 5-(4-chlorophenyl)-1-vinyl-1h-pyrrole-2-carboxylic acid, 4,5,6,7-Tetrahydro-indol-2-carbonsaeure
Technical Specifications
| Molecular Formula | C13H10ClNO2 |
| Molecular Weight | 247.04001 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.04001 Da |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
| SMILES | C=CN1C(=CC=C1C(=O)O)C2=CC=C(C=C2)Cl |
| InChIKey | PUKWBFVMKZYCMR-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid
Property Insights of 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid
The XLogP value of 3.4 indicates that 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-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
What is the CAS number of 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid?
The CAS number of 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid is 131172-69-5.
What is the molecular formula of 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid?
The molecular formula of 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid is C13H10ClNO2.
What is the molecular weight of 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid?
The molecular weight of 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid is 247.04001 g/mol.
Where can I buy 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid?
You can request a quote for 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-(4-Chlorophenyl)-1-ethenyl-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.