Diethyl(quinoxalin-2-ylmethyl)propanedioate
TL;DR: Diethyl(quinoxalin-2-ylmethyl)propanedioate (CAS 150693-40-6) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(quinoxalin-2-ylmethyl)propanedioate
Also Known As: diethyl(quinoxalin-2-ylmethyl)propanedioate, diethyl 2-(quinoxalin-2-ylmethyl)propanedioate, Diethyl [(quinoxalin-2-yl)methyl]propanedioate, quinoxalin-2-ylmethyl-malonic acid diethyl ester, Propanedioic acid,2-(2-quinoxalinylmethyl)-, 1,3-diethyl ester
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 150693-40-6 |
|---|---|
| SMILES | CCOC(=O)C(CC1=NC2=CC=CC=C2N=C1)C(=O)OCC |
| InChIKey | XCRBSFVOBSMVRC-UHFFFAOYSA-N |
Product Overview
Diethyl(quinoxalin-2-ylmethyl)propanedioate (CAS 150693-40-6), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: diethyl 2-(quinoxalin-2-ylmethyl)propanedioate.
Chemical Property Profile of Diethyl(quinoxalin-2-ylmethyl)propanedioate
Property Insights of Diethyl(quinoxalin-2-ylmethyl)propanedioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(quinoxalin-2-ylmethyl)propanedioate. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl(quinoxalin-2-ylmethyl)propanedioate. Following Lipinski's Rule of Five, Diethyl(quinoxalin-2-ylmethyl)propanedioate has 0 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 Diethyl(quinoxalin-2-ylmethyl)propanedioate?
The CAS number of Diethyl(quinoxalin-2-ylmethyl)propanedioate is 150693-40-6.
What is the molecular formula of Diethyl(quinoxalin-2-ylmethyl)propanedioate?
The molecular formula of Diethyl(quinoxalin-2-ylmethyl)propanedioate is C16H18N2O4.
What is the molecular weight of Diethyl(quinoxalin-2-ylmethyl)propanedioate?
The molecular weight of Diethyl(quinoxalin-2-ylmethyl)propanedioate is 302.13 g/mol.
Where can I buy Diethyl(quinoxalin-2-ylmethyl)propanedioate?
You can request a quote for Diethyl(quinoxalin-2-ylmethyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(quinoxalin-2-ylmethyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(quinoxalin-2-ylmethyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.