Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate
TL;DR: Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate (CAS 1008857-93-9) is a chemical compound with molecular formula C13H19ClN2O4 and molecular weight 302.10333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[1-(2-chloroacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetate
Also Known As: methyl [1-(chloroacetyl)-3-oxodecahydroquinoxalin-2-yl]acetate, methyl 2-[1-(2-chloroacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetate, Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate, methyl 2-[1-(2-chloroacetyl)-3-oxo-decahydroquinoxalin-2-yl]acetate, Methyl 2-(1-(2-chloroacetyl)-3-oxodecahydroquinoxalin-2-yl)acetate
Technical Specifications
| Molecular Formula | C13H19ClN2O4 |
| Molecular Weight | 302.10333 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.10333 Da |
| Heavy Atoms | 20 |
| Complexity | 415.0 |
| SMILES | COC(=O)CC1C(=O)NC2CCCCC2N1C(=O)CCl |
| InChIKey | WMSZAZJMNQNIFY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate
Property Insights of Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate. Following Lipinski's Rule of Five, Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate 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
What is the CAS number of Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate?
The CAS number of Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate is 1008857-93-9.
What is the molecular formula of Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate?
The molecular formula of Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate is C13H19ClN2O4.
What is the molecular weight of Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate?
The molecular weight of Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate is 302.10333 g/mol.
Where can I buy Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate?
You can request a quote for Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate?
Yes, CoreyChem provides custom synthesis services for Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.