![Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate structure](/static/products/1709/170948-50-2.webp)
Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate
TL;DR: Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate (CAS 170948-50-2) is a chemical compound with molecular formula C18H21N3O4 and molecular weight 343.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(2,3-dimethylquinoxalin-6-yl)amino]methylidene]propanedioate
Also Known As: diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate, 1,3-diethyl 2-{[(2,3-dimethylquinoxalin-6-yl)amino]methylidene}propanedioate, 2W-0902, Diethyl 2-[[(2,3-dimethylquinoxalin-6-yl)amino]methylidene]propanedioate, diethyl 2-[[(2,3-dimethylquinoxalin-6-yl)amino]methylene]propanedioate
| Molecular Formula | C18H21N3O4 |
|---|---|
| Molecular Weight | 343.15 g/mol |
| LogP | 2.66864 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.1532 |
| Heavy Atoms | 25 |
| Complexity | 810.42615 |
Chemical Identifiers
| CAS Number | 170948-50-2 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC2=NC(=C(N=C2C=C1)C)C)C(=O)OCC |
Product Overview
Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate (CAS 170948-50-2), with molecular formula C18H21N3O4 and molecular weight 343.15 g/mol. IUPAC: diethyl 2-[[(2,3-dimethylquinoxalin-6-yl)amino]methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate
Property Insights of Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate
The XLogP value of 2.66864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate. The TPSA of 90.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate. Following Lipinski's Rule of Five, Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate has 1 hydrogen bond donor(s) and 7 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 Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate?
The CAS number of Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate is 170948-50-2.
What is the molecular formula of Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate?
The molecular formula of Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate is C18H21N3O4.
What is the molecular weight of Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate?
The molecular weight of Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate is 343.15 g/mol.
Where can I buy Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate?
You can request a quote for Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-{[(2,3-dimethyl-6-quinoxalinyl)amino]methylene}malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.