![methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate structure](/static/products/1164/1164546-60-4.webp)
methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate
TL;DR: methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate (CAS 1164546-60-4) is a chemical compound with molecular formula C19H19ClN2O6 and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate
Also Known As: methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate, methyl 3-(2-chlorophenyl)-5-[2-(dimethylamino)-1-(2-ethoxy-2-oxoacetyl)vinyl]-4-isoxazolecarboxylate
| Molecular Formula | C19H19ClN2O6 |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 2.8163 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.09317 |
| Heavy Atoms | 28 |
| Complexity | 932.2551 |
Chemical Identifiers
| CAS Number | 1164546-60-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)C(=CN(C)C)C1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC |
Product Overview
methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate (CAS 1164546-60-4), with molecular formula C19H19ClN2O6 and molecular weight 406.09 g/mol. IUPAC: methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate.
Chemical Property Profile of methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate
Property Insights of methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate
The XLogP value of 2.8163 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate. Following Lipinski's Rule of Five, methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate 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 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate?
The CAS number of methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate is 1164546-60-4.
What is the molecular formula of methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate?
The molecular formula of methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate is C19H19ClN2O6.
What is the molecular weight of methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate?
The molecular weight of methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate is 406.09 g/mol.
Where can I buy methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate?
You can request a quote for methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2-chlorophenyl)-5-[1-(dimethylamino)-4-ethoxy-3,4-dioxobut-1-en-2-yl]-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.