5-phenyl-1H-pyrrole-2-carboxylic acid
TL;DR: 5-phenyl-1H-pyrrole-2-carboxylic acid (CAS 111158-92-0) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-1H-pyrrole-2-carboxylic acid
Also Known As: 5-Phenyl-1H-pyrrole-2-carboxylic acid, TimTec1_002169, 4,5-dichloro-4-methylaniline, 5-phenylpyrrole-2-carboxylic acid, BAS 01184238
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 111158-92-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(N2)C(=O)O |
| InChIKey | YEQVNAGNEONSTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-phenyl-1H-pyrrole-2-carboxylic acid (CAS 111158-92-0), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 5-phenyl-1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of 5-phenyl-1H-pyrrole-2-carboxylic acid
Property Insights of 5-phenyl-1H-pyrrole-2-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-phenyl-1H-pyrrole-2-carboxylic acid. With a topological polar surface area (TPSA) of 53.1 Ų, 5-phenyl-1H-pyrrole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-phenyl-1H-pyrrole-2-carboxylic acid has 2 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-phenyl-1H-pyrrole-2-carboxylic acid?
The CAS number of 5-phenyl-1H-pyrrole-2-carboxylic acid is 111158-92-0.
What is the molecular formula of 5-phenyl-1H-pyrrole-2-carboxylic acid?
The molecular formula of 5-phenyl-1H-pyrrole-2-carboxylic acid is C11H9NO2.
What is the molecular weight of 5-phenyl-1H-pyrrole-2-carboxylic acid?
The molecular weight of 5-phenyl-1H-pyrrole-2-carboxylic acid is 187.06 g/mol.
Where can I buy 5-phenyl-1H-pyrrole-2-carboxylic acid?
You can request a quote for 5-phenyl-1H-pyrrole-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-phenyl-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-phenyl-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.