![2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate structure](/static/products/102/1022487-13-3.png)
2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate
TL;DR: 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate (CAS 1022487-13-3) is a chemical compound with molecular formula C25H22N2O7S2 and molecular weight 526.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-ethyl 4-O-methyl 5-(4,6-dioxo-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate, 2-ethyl 4-methyl 5-[4,6-dioxo-2-phenyl-3-(thiophen-2-yl)hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-3-methylthiophene-2,4-dicarboxylate, 2-O-ethyl 4-O-methyl 5-(4,6-dioxo-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C25H22N2O7S2 |
|---|---|
| Molecular Weight | 526.09 g/mol |
| LogP | 4.13242 |
| Topological Polar Surface Area | 102.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.08685 |
| Heavy Atoms | 36 |
| Complexity | 1335.8821 |
Chemical Identifiers
| CAS Number | 1022487-13-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CS5)C(=O)OC)C |
Product Overview
2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate (CAS 1022487-13-3), with molecular formula C25H22N2O7S2 and molecular weight 526.09 g/mol. IUPAC: 2-O-ethyl 4-O-methyl 5-(4,6-dioxo-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate
Property Insights of 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.13242 indicates that 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate is 1022487-13-3.
What is the molecular formula of 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate is C25H22N2O7S2.
What is the molecular weight of 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate is 526.09 g/mol.
Where can I buy 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl 4-methyl 5-(4,6-dioxo-2-phenyl-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.