Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate
TL;DR: Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate (CAS 89446-51-5) is a chemical compound with molecular formula C12H11BrN2O3 and molecular weight 310.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromo-2-(3-oxo-4H-quinoxalin-2-yl)acetate
Also Known As: ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate, Ethyl 2-bromo-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate, ethyl 2-bromo-2-(3-oxo-4H-quinoxalin-2-yl)acetate, ethyl 2-bromo-2-(quinoxalin-2(1h)-on-3-yl)acetate, ethyl 2-bromo-2-(3-oxo(4-hydroquinoxalin-2-yl))acetate
| Molecular Formula | C12H11BrN2O3 |
|---|---|
| Molecular Weight | 310.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.9953 |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 89446-51-5 |
|---|---|
| SMILES | CCOC(=O)C(C1=NC2=CC=CC=C2NC1=O)Br |
| InChIKey | HQNRIYDQTYXGKI-UHFFFAOYSA-N |
Product Overview
Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate (CAS 89446-51-5), with molecular formula C12H11BrN2O3 and molecular weight 310.00 g/mol. IUPAC: ethyl 2-bromo-2-(3-oxo-4H-quinoxalin-2-yl)acetate.
Chemical Property Profile of Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate
Property Insights of Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate. Following Lipinski's Rule of Five, Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate has 1 hydrogen bond donor(s) and 4 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 Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate?
The CAS number of Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate is 89446-51-5.
What is the molecular formula of Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate?
The molecular formula of Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate is C12H11BrN2O3.
What is the molecular weight of Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate?
The molecular weight of Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate is 310.00 g/mol.
Where can I buy Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate?
You can request a quote for Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-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 Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl bromo(3-oxo-3,4-dihydroquinoxalin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.