5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid
TL;DR: 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid (CAS 1354486-53-5) is a chemical compound with molecular formula C13H12FNO2 and molecular weight 233.0852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-fluorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
Also Known As: 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid, 5-(4-fluorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid, Z-0640, 5-(4-fluorophenyl)-1,2-dimethyl-3-pyrrolecarboxylic acid, 5-(4-fluorophenyl)-1,2-dimethyl-pyrrole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C13H12FNO2 |
| Molecular Weight | 233.0852 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.0852 Da |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
| SMILES | CC1=C(C=C(N1C)C2=CC=C(C=C2)F)C(=O)O |
| InChIKey | OAKQOMKKKBNYCI-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid
Property Insights of 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid?
The CAS number of 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid is 1354486-53-5.
What is the molecular formula of 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid?
The molecular formula of 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid is C13H12FNO2.
What is the molecular weight of 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid?
The molecular weight of 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid is 233.0852 g/mol.
Where can I buy 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid?
You can request a quote for 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.