2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid
TL;DR: 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid (CAS 5254-61-5) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid
Also Known As: (1,3-dioxo-3,4-dihydroisoquinolin-2(1h)-yl)acetic acid, 2-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid, 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid, 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-1,3-dioxo-, 2-(1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)acetic acid
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 5254-61-5 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)O |
| InChIKey | PNBCSFDZKNXAAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid (CAS 5254-61-5), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid.
Chemical Property Profile of 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid
Property Insights of 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid. Following Lipinski's Rule of Five, 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid has 1 hydrogen bond donor(s) and 4 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-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid?
The CAS number of 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid is 5254-61-5.
What is the molecular formula of 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid?
The molecular formula of 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid is C11H9NO4.
What is the molecular weight of 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid?
The molecular weight of 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid is 219.05 g/mol.
Where can I buy 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid?
You can request a quote for 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.