(4-Cyanophenyl)methyl quinoxaline-2-carboxylate
TL;DR: (4-Cyanophenyl)methyl quinoxaline-2-carboxylate (CAS 854136-44-0) is a chemical compound with molecular formula C17H11N3O2 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl)methyl quinoxaline-2-carboxylate
Also Known As: (4-cyanophenyl)methyl quinoxaline-2-carboxylate
| Molecular Formula | C17H11N3O2 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 2.85848 |
| Topological Polar Surface Area | 75.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0851 |
| Heavy Atoms | 22 |
| Complexity | 866.9565 |
Chemical Identifiers
| CAS Number | 854136-44-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CC(=N2)C(=O)OCC3=CC=C(C=C3)C#N |
Product Overview
(4-Cyanophenyl)methyl quinoxaline-2-carboxylate (CAS 854136-44-0), with molecular formula C17H11N3O2 and molecular weight 289.09 g/mol. IUPAC: (4-cyanophenyl)methyl quinoxaline-2-carboxylate.
Chemical Property Profile of (4-Cyanophenyl)methyl quinoxaline-2-carboxylate
Property Insights of (4-Cyanophenyl)methyl quinoxaline-2-carboxylate
The XLogP value of 2.85848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Cyanophenyl)methyl quinoxaline-2-carboxylate. The TPSA of 75.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Cyanophenyl)methyl quinoxaline-2-carboxylate. Following Lipinski's Rule of Five, (4-Cyanophenyl)methyl quinoxaline-2-carboxylate has 0 hydrogen bond donor(s) and 5 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-Cyanophenyl)methyl quinoxaline-2-carboxylate?
The CAS number of (4-Cyanophenyl)methyl quinoxaline-2-carboxylate is 854136-44-0.
What is the molecular formula of (4-Cyanophenyl)methyl quinoxaline-2-carboxylate?
The molecular formula of (4-Cyanophenyl)methyl quinoxaline-2-carboxylate is C17H11N3O2.
What is the molecular weight of (4-Cyanophenyl)methyl quinoxaline-2-carboxylate?
The molecular weight of (4-Cyanophenyl)methyl quinoxaline-2-carboxylate is 289.09 g/mol.
Where can I buy (4-Cyanophenyl)methyl quinoxaline-2-carboxylate?
You can request a quote for (4-Cyanophenyl)methyl quinoxaline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Cyanophenyl)methyl quinoxaline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyanophenyl)methyl quinoxaline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.