![dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate structure](/static/products/3384/338408-97-2.webp)
dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate
TL;DR: dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate (CAS 338408-97-2) is a chemical compound with molecular formula C15H14N2O7 and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4,6-dioxo-5-phenyl-3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate
Also Known As: dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate, 3,3-dimethyl 4,6-dioxo-5-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate, dimethyl 4,6-dioxo-5-phenyl-3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate, 3,3-dimethyl4,6-dioxo-5-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate, dimethyl 4,6-dioxo-5-phenyl-3a,6a-dihydro-2H-pyrrolo[3,4-d]isoxazole-3,3-dicarboxylate
| Molecular Formula | C15H14N2O7 |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | -0.8358 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.0801 |
| Heavy Atoms | 24 |
| Complexity | 701.79254 |
Chemical Identifiers
| CAS Number | 338408-97-2 |
|---|---|
| SMILES | COC(=O)C1(C2C(C(=O)N(C2=O)C3=CC=CC=C3)ON1)C(=O)OC |
Product Overview
dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate (CAS 338408-97-2), with molecular formula C15H14N2O7 and molecular weight 334.08 g/mol. IUPAC: dimethyl 4,6-dioxo-5-phenyl-3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate.
Chemical Property Profile of dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate
Property Insights of dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate
The XLogP value of -0.8358 indicates that dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate has 1 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 dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate?
The CAS number of dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate is 338408-97-2.
What is the molecular formula of dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate?
The molecular formula of dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate is C15H14N2O7.
What is the molecular weight of dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate?
The molecular weight of dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate is 334.08 g/mol.
Where can I buy dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate?
You can request a quote for dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.