2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid
TL;DR: 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid (CAS 13252-83-0) is a chemical compound with molecular formula C20H14N2O5S and molecular weight 394.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isoquinolin-1-yl-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid
Also Known As: NCIStruc1_001462, NCIStruc2_000999, 2-(isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid, NCI60_000380, 2-isoquinolin-1-yl-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid
| Molecular Formula | C20H14N2O5S |
|---|---|
| Molecular Weight | 394.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.06235 |
| Heavy Atoms | 28 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 13252-83-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=C(N2)C3=NC=CC4=CC=CC=C43)C(=O)O)S(=O)(=O)O |
| InChIKey | OYQDWWBFWUOBQY-UHFFFAOYSA-N |
Product Overview
2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid (CAS 13252-83-0), with molecular formula C20H14N2O5S and molecular weight 394.06 g/mol. IUPAC: 2-isoquinolin-1-yl-5-phenyl-4-sulfo-1H-pyrrole-3-carboxylic acid.
Chemical Property Profile of 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid
Property Insights of 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid has 3 hydrogen bond donor(s) and 6 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-4-sulfo-1h-pyrrole-3-carboxylic acid?
The CAS number of 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid is 13252-83-0.
What is the molecular formula of 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid?
The molecular formula of 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid is C20H14N2O5S.
What is the molecular weight of 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid?
The molecular weight of 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid is 394.06 g/mol.
Where can I buy 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid?
You can request a quote for 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-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-4-sulfo-1h-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.