![methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate structure](/static/products/102/1023587-05-4.webp)
methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate
TL;DR: methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate (CAS 1023587-05-4) is a chemical compound with molecular formula C27H24N2O6 and molecular weight 472.16342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[5-(4-ethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate
Also Known As: methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate, Methyl 4-[3-(4-ethoxyphenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]benzoate, methyl 4-[5-(4-ethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate, methyl 4-[5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate
Technical Specifications
| Molecular Formula | C27H24N2O6 |
| Molecular Weight | 472.16342 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 85.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.16342 Da |
| Heavy Atoms | 35 |
| Complexity | 783.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC |
| InChIKey | OXQIDEMFQNVDET-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate
Property Insights of methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate
The XLogP value of 4.2 indicates that methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate has 0 hydrogen bond donor(s) and 7 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 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
The CAS number of methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate is 1023587-05-4.
What is the molecular formula of methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
The molecular formula of methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate is C27H24N2O6.
What is the molecular weight of methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
The molecular weight of methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate is 472.16342 g/mol.
Where can I buy methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
You can request a quote for methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 4-(5-(4-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.