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2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide
TL;DR: 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide (CAS 52074-61-0) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 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)acetamide
Also Known As: Bionet2_000529, 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide, 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide, 4N-704, 2-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)acetamide
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | -0.3032 |
| Topological Polar Surface Area | 80.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 481.87296 |
Chemical Identifiers
| CAS Number | 52074-61-0 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)N |
Product Overview
2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide (CAS 52074-61-0), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide.
Chemical Property Profile of 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide
Property Insights of 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide
The XLogP value of -0.3032 indicates that 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide. Following Lipinski's Rule of Five, 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide 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 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide?
The CAS number of 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide is 52074-61-0.
What is the molecular formula of 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide?
The molecular formula of 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide is C11H10N2O3.
What is the molecular weight of 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide?
The molecular weight of 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide is 218.07 g/mol.
Where can I buy 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide?
You can request a quote for 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide 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-3,4-dihydro-2(1H)-isoquinolinyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.