2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate
TL;DR: 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate (CAS 840476-18-8) is a chemical compound with molecular formula C15H15N3O3 and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-cyano-2-(3-oxo-4H-quinoxalin-2-yl)acetate
Also Known As: 2-methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate, isobutyl 2-cyano-2-(3-hydroxyquinoxalin-2-yl)acetate, 2-methylpropyl 2-cyano-2-(3-oxo-4H-quinoxalin-2-yl)acetate
| Molecular Formula | C15H15N3O3 |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | 1.72948 |
| Topological Polar Surface Area | 95.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.11133 |
| Heavy Atoms | 21 |
| Complexity | 758.58325 |
Chemical Identifiers
| CAS Number | 840476-18-8 |
|---|---|
| SMILES | CC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2NC1=O |
Product Overview
2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate (CAS 840476-18-8), with molecular formula C15H15N3O3 and molecular weight 285.11 g/mol. IUPAC: 2-methylpropyl 2-cyano-2-(3-oxo-4H-quinoxalin-2-yl)acetate.
Chemical Property Profile of 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate
Property Insights of 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate
The XLogP value of 1.72948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate. The TPSA of 95.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate. Following Lipinski's Rule of Five, 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate has 1 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 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate?
The CAS number of 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate is 840476-18-8.
What is the molecular formula of 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate?
The molecular formula of 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate is C15H15N3O3.
What is the molecular weight of 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate?
The molecular weight of 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate is 285.11 g/mol.
Where can I buy 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate?
You can request a quote for 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl cyano(3-hydroxyquinoxalin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.