Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate
TL;DR: Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate (CAS 58772-18-2) is a chemical compound with molecular formula C28H42N2O4 and molecular weight 470.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate
Also Known As: bis quinoxaline-2,3-dicarboxylate, Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate, 2,3-Quinoxalinedicarboxylic acid bis(3,5,5-trimethylhexyl) ester, BIS-(3,5,5-TRIMETHYLHEXYL) QUINOXALINE-2,3-DICARBOXYLATE, 2,3-BIS(3,5,5-TRIMETHYLHEXYL) QUINOXALINE-2,3-DICARBOXYLATE
| Molecular Formula | C28H42N2O4 |
|---|---|
| Molecular Weight | 470.31 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 470.31445 |
| Heavy Atoms | 34 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 58772-18-2 |
|---|---|
| SMILES | CC(CCOC(=O)C1=NC2=CC=CC=C2N=C1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C |
| InChIKey | XDCPLQCYKINKST-UHFFFAOYSA-N |
Product Overview
Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate (CAS 58772-18-2), with molecular formula C28H42N2O4 and molecular weight 470.31 g/mol. IUPAC: bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate.
Chemical Property Profile of Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate
Property Insights of Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate
The XLogP value of 8.4 indicates that Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate. Following Lipinski's Rule of Five, Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate?
The CAS number of Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate is 58772-18-2.
What is the molecular formula of Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate?
The molecular formula of Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate is C28H42N2O4.
What is the molecular weight of Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate?
The molecular weight of Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate is 470.31 g/mol.
Where can I buy Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate?
You can request a quote for Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.