4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate
TL;DR: 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate (CAS 309738-39-4) is a chemical compound with molecular formula C22H14N4O6 and molecular weight 430.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-quinoxalin-2-ylphenyl) 2-methyl-3,5-dinitrobenzoate
Also Known As: BAS 00315923, 4-(quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate, (4-quinoxalin-2-ylphenyl) 2-methyl-3,5-dinitrobenzoate, 4-quinoxalin-2-ylphenyl 2-methyl-3,5-dinitrobenzoate, 4-(2-quinoxalinyl)phenyl 2-methyl-3,5-dinitrobenzoate
| Molecular Formula | C22H14N4O6 |
|---|---|
| Molecular Weight | 430.09 g/mol |
| LogP | 4.64082 |
| Topological Polar Surface Area | 138.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.09134 |
| Heavy Atoms | 32 |
| Complexity | 1385.3328 |
Chemical Identifiers
| CAS Number | 309738-39-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3 |
Product Overview
4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate (CAS 309738-39-4), with molecular formula C22H14N4O6 and molecular weight 430.09 g/mol. IUPAC: (4-quinoxalin-2-ylphenyl) 2-methyl-3,5-dinitrobenzoate.
Chemical Property Profile of 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate
Property Insights of 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate
The XLogP value of 4.64082 indicates that 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate. Following Lipinski's Rule of Five, 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 8 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 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate?
The CAS number of 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate is 309738-39-4.
What is the molecular formula of 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate?
The molecular formula of 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate is C22H14N4O6.
What is the molecular weight of 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate?
The molecular weight of 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate is 430.09 g/mol.
Where can I buy 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate?
You can request a quote for 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Quinoxalin-2-yl)phenyl 2-methyl-3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.