2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid
TL;DR: 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid (CAS 1501-39-9) is a chemical compound with molecular formula C13H12N2O5 and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]propanedioic acid
Also Known As: 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid, 2-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]propanedioic acid, 2-[(4-methyl-3-oxo-quinoxalin-2-yl)methyl]propanedioic acid, Propanedioic acid,2-[(3,4-dihydro-4-methyl-3-oxo-2-quinoxalinyl)methyl]-, [(4-Methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]propanedioic acid
| Molecular Formula | C13H12N2O5 |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.07462 |
| Heavy Atoms | 20 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 1501-39-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C(C1=O)CC(C(=O)O)C(=O)O |
| InChIKey | JWZXCJUBVMTIDB-UHFFFAOYSA-N |
Product Overview
2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid (CAS 1501-39-9), with molecular formula C13H12N2O5 and molecular weight 276.07 g/mol. IUPAC: 2-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]propanedioic acid.
Chemical Property Profile of 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid
Property Insights of 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid. Following Lipinski's Rule of Five, 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid has 2 hydrogen bond donor(s) and 6 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-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid?
The CAS number of 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid is 1501-39-9.
What is the molecular formula of 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid?
The molecular formula of 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid is C13H12N2O5.
What is the molecular weight of 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid?
The molecular weight of 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid is 276.07 g/mol.
Where can I buy 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid?
You can request a quote for 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)methyl)malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.