4-(Isoquinolin-4-YL)benzoic acid
TL;DR: 4-(Isoquinolin-4-YL)benzoic acid (CAS 216059-93-7) is a chemical compound with molecular formula C16H11NO2 and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isoquinolin-4-ylbenzoic acid
Also Known As: 4-isoquinolin-4-ylbenzoic Acid, 4- BENZOICACID, 4-(ISOQUINOLIN-4-YL)BENZOIC ACID, Benzoic acid,4-(4-isoquinolinyl)-, 4-(4-Isoquinolinyl)benzoic acid
| Molecular Formula | C16H11NO2 |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.07898 |
| Heavy Atoms | 19 |
| Complexity | 742.7986 |
Chemical Identifiers
| CAS Number | 216059-93-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC=C2C3=CC=C(C=C3)C(=O)O |
Product Overview
4-(Isoquinolin-4-YL)benzoic acid (CAS 216059-93-7), with molecular formula C16H11NO2 and molecular weight 249.08 g/mol. IUPAC: 4-isoquinolin-4-ylbenzoic acid.
Chemical Property Profile of 4-(Isoquinolin-4-YL)benzoic acid
Property Insights of 4-(Isoquinolin-4-YL)benzoic acid
The XLogP value of 3.6 indicates that 4-(Isoquinolin-4-YL)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 4-(Isoquinolin-4-YL)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Isoquinolin-4-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 4-(Isoquinolin-4-YL)benzoic acid?
The CAS number of 4-(Isoquinolin-4-YL)benzoic acid is 216059-93-7.
What is the molecular formula of 4-(Isoquinolin-4-YL)benzoic acid?
The molecular formula of 4-(Isoquinolin-4-YL)benzoic acid is C16H11NO2.
What is the molecular weight of 4-(Isoquinolin-4-YL)benzoic acid?
The molecular weight of 4-(Isoquinolin-4-YL)benzoic acid is 249.08 g/mol.
Where can I buy 4-(Isoquinolin-4-YL)benzoic acid?
You can request a quote for 4-(Isoquinolin-4-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 4-(Isoquinolin-4-YL)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Isoquinolin-4-YL)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.