4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid
TL;DR: 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid (CAS 131924-70-4) is a chemical compound with molecular formula C12H10ClNO2 and molecular weight 235.04001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)-1-methylpyrrole-3-carboxylic acid
Also Known As: Pyrrolnitrin der., 4-1-methyl-1h-pyrrole-3-carboxylicacid, 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid, 4- -1-METHYL-1H-PYRROLE-3-CARBOXYLICACID, 4-(4-chlorophenyl)-1-methyl-1h-pyrrole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C12H10ClNO2 |
| Molecular Weight | 235.04001 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.04001 Da |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
| SMILES | CN1C=C(C(=C1)C(=O)O)C2=CC=C(C=C2)Cl |
| InChIKey | LEJNGTKTHRKDBX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid
Property Insights of 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-1-methylpyrrole-3-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 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid?
The CAS number of 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid is 131924-70-4.
What is the molecular formula of 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid?
The molecular formula of 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid is C12H10ClNO2.
What is the molecular weight of 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid?
The molecular weight of 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid is 235.04001 g/mol.
Where can I buy 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid?
You can request a quote for 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Chlorophenyl)-1-methylpyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.