2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid
TL;DR: 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid (CAS 13389-07-6) is a chemical compound with molecular formula C20H14N2O2 and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isoquinolin-1-yl-5-phenyl-1H-pyrrole-3-carboxylic acid
Also Known As: 2-(isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid, 2-isoquinolin-1-yl-5-phenyl-1H-pyrrole-3-carboxylic acid, 2-isoquinolin-1-yl-5-phenyl-pyrrole-3-carboxylic acid, 1H-Pyrrole-3-carboxylicacid, 2-(1-isoquinolinyl)-5-phenyl-
| Molecular Formula | C20H14N2O2 |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.10553 |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 13389-07-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(N2)C3=NC=CC4=CC=CC=C43)C(=O)O |
| InChIKey | FPTGQTCZJSTGLL-UHFFFAOYSA-N |
Product Overview
2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid (CAS 13389-07-6), with molecular formula C20H14N2O2 and molecular weight 314.11 g/mol. IUPAC: 2-isoquinolin-1-yl-5-phenyl-1H-pyrrole-3-carboxylic acid.
Chemical Property Profile of 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid
Property Insights of 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid
The XLogP value of 3.8 indicates that 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid has 2 hydrogen bond donor(s) and 3 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-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid?
The CAS number of 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid is 13389-07-6.
What is the molecular formula of 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid?
The molecular formula of 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid is C20H14N2O2.
What is the molecular weight of 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid?
The molecular weight of 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid is 314.11 g/mol.
Where can I buy 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid?
You can request a quote for 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isoquinolin-1-yl)-5-phenyl-1h-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.