(2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid
TL;DR: (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid (CAS 58246-00-7) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid
Also Known As: (2-acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid, 2-fluorophenylacetone, 2-(2-acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid, 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid, 2-Acyl-1,2-dihydroisochinolin-essigsaeure
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.0352 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 493.19287 |
Chemical Identifiers
| CAS Number | 58246-00-7 |
|---|---|
| SMILES | CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)O |
Product Overview
(2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid (CAS 58246-00-7), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid.
Chemical Property Profile of (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid
Property Insights of (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid
The XLogP value of 2.0352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic 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 (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid?
The CAS number of (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid is 58246-00-7.
What is the molecular formula of (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid?
The molecular formula of (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid is C13H13NO3.
What is the molecular weight of (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid?
The molecular weight of (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid is 231.09 g/mol.
Where can I buy (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid?
You can request a quote for (2-Acetyl-1,2-dihydroisoquinolin-1-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-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.