2-(1H-pyrrol-1-yl)benzoic acid
TL;DR: 2-(1H-pyrrol-1-yl)benzoic acid (CAS 112575-88-9) 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.
2-pyrrol-1-ylbenzoic acid
Also Known As: 2-(1H-pyrrol-1-yl)benzoic acid, 2-pyrrol-1-ylbenzoic acid, 2-(1-Pyrrolyl)Benzoic Acid, 2-pyrrol-1-yl-benzoic acid, 1-(2-carboxyphenyl)pyrrole
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 112575-88-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)N2C=CC=C2 |
| InChIKey | GNWTWXOZRSBCOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1H-pyrrol-1-yl)benzoic acid (CAS 112575-88-9), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 2-pyrrol-1-ylbenzoic acid.
Chemical Property Profile of 2-(1H-pyrrol-1-yl)benzoic acid
Property Insights of 2-(1H-pyrrol-1-yl)benzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-pyrrol-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 2-(1H-pyrrol-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-pyrrol-1-yl)benzoic 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 2-(1H-pyrrol-1-yl)benzoic acid?
The CAS number of 2-(1H-pyrrol-1-yl)benzoic acid is 112575-88-9.
What is the molecular formula of 2-(1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 2-(1H-pyrrol-1-yl)benzoic acid is C11H9NO2.
What is the molecular weight of 2-(1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 2-(1H-pyrrol-1-yl)benzoic acid is 187.06 g/mol.
Where can I buy 2-(1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 2-(1H-pyrrol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.