![methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate structure](/static/products/1164/1164517-00-3.webp)
methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate
TL;DR: methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate (CAS 1164517-00-3) is a chemical compound with molecular formula C19H20N2O6 and molecular weight 372.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-3-phenyl-1,2-oxazole-4-carboxylate
Also Known As: methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate, methyl 5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-3-phenyl-1,2-oxazole-4-carboxylate
| Molecular Formula | C19H20N2O6 |
|---|---|
| Molecular Weight | 372.13 g/mol |
| LogP | 2.1629 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.13214 |
| Heavy Atoms | 27 |
| Complexity | 867.57996 |
Chemical Identifiers
| CAS Number | 1164517-00-3 |
|---|---|
| SMILES | CCOC(=O)C(=O)C(=CN(C)C)C1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC |
Product Overview
methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate (CAS 1164517-00-3), with molecular formula C19H20N2O6 and molecular weight 372.13 g/mol. IUPAC: methyl 5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-3-phenyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate
Property Insights of methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate
The XLogP value of 2.1629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate. Following Lipinski's Rule of Five, methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate has 0 hydrogen bond donor(s) and 8 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 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate?
The CAS number of methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate is 1164517-00-3.
What is the molecular formula of methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate?
The molecular formula of methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate is C19H20N2O6.
What is the molecular weight of methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate?
The molecular weight of methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate is 372.13 g/mol.
Where can I buy methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate?
You can request a quote for methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-3-phenyl-4-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.