Methyl (3-oxodecahydroquinoxalin-2-yl)acetate
TL;DR: Methyl (3-oxodecahydroquinoxalin-2-yl)acetate (CAS 1008583-85-4) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate
Also Known As: methyl (3-oxodecahydroquinoxalin-2-yl)acetate, Methyl 2-(3-oxodecahydroquinoxalin-2-yl)acetate, SDCCGMLS-0045944.P002, BAS 07100141, methyl 2-(3-oxo-decahydroquinoxalin-2-yl)acetate
| Molecular Formula | C11H18N2O3 |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | -0.0513 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.13174 |
| Heavy Atoms | 16 |
| Complexity | 292.95425 |
Chemical Identifiers
| CAS Number | 1008583-85-4 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NC2CCCCC2N1 |
Product Overview
Methyl (3-oxodecahydroquinoxalin-2-yl)acetate (CAS 1008583-85-4), with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol. IUPAC: methyl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate.
Chemical Property Profile of Methyl (3-oxodecahydroquinoxalin-2-yl)acetate
Property Insights of Methyl (3-oxodecahydroquinoxalin-2-yl)acetate
The XLogP value of -0.0513 indicates that Methyl (3-oxodecahydroquinoxalin-2-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (3-oxodecahydroquinoxalin-2-yl)acetate. Following Lipinski's Rule of Five, Methyl (3-oxodecahydroquinoxalin-2-yl)acetate has 2 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 Methyl (3-oxodecahydroquinoxalin-2-yl)acetate?
The CAS number of Methyl (3-oxodecahydroquinoxalin-2-yl)acetate is 1008583-85-4.
What is the molecular formula of Methyl (3-oxodecahydroquinoxalin-2-yl)acetate?
The molecular formula of Methyl (3-oxodecahydroquinoxalin-2-yl)acetate is C11H18N2O3.
What is the molecular weight of Methyl (3-oxodecahydroquinoxalin-2-yl)acetate?
The molecular weight of Methyl (3-oxodecahydroquinoxalin-2-yl)acetate is 226.13 g/mol.
Where can I buy Methyl (3-oxodecahydroquinoxalin-2-yl)acetate?
You can request a quote for Methyl (3-oxodecahydroquinoxalin-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 Methyl (3-oxodecahydroquinoxalin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3-oxodecahydroquinoxalin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.