3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-
TL;DR: 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)- (CAS 112392-91-3) is a chemical compound with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinoline-3-carboxylic acid
Also Known As: 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-, 1-Oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-1,2-dihydro-3-isoquinolinecarboxylic acid, 3-Isoquinolinecarboxylicacid, 1,2-dihydro-1-oxo-4-phenyl-2-[2-(1-pyrrolidinyl)ethyl]-, 1-Oxo-4-phenyl-2-(2-(pyrrolidin-1-yl)ethyl)-1,2-dihydroisoquinoline-3-carboxylic acid, 1-oxo-4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinoline-3-carboxylic acid
| Molecular Formula | C22H22N2O3 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 3.4625 |
| Topological Polar Surface Area | 62.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.16306 |
| Heavy Atoms | 27 |
| Complexity | 1034.6024 |
Chemical Identifiers
| CAS Number | 112392-91-3 |
|---|---|
| SMILES | C1CCN(C1)CCN2C(=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)O |
Product Overview
3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)- (CAS 112392-91-3), with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol. IUPAC: 1-oxo-4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinoline-3-carboxylic acid.
Chemical Property Profile of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-
Property Insights of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-
The XLogP value of 3.4625 indicates that 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-. Following Lipinski's Rule of Five, 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)- 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
Frequently Asked Questions
What is the CAS number of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-?
The CAS number of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)- is 112392-91-3.
What is the molecular formula of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-?
The molecular formula of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)- is C22H22N2O3.
What is the molecular weight of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-?
The molecular weight of 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)- is 362.16 g/mol.
Where can I buy 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-?
You can request a quote for 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.