![methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate structure](/static/products/102/1021993-93-0.png)
methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate
TL;DR: methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate (CAS 1021993-93-0) is a chemical compound with molecular formula C26H22N2O5 and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-(4-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate
Also Known As: methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate, Methyl 4-[3-(4-methylphenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]benzoate, methyl 4-[5-(4-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate, methyl 4-[5-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate
| Molecular Formula | C26H22N2O5 |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 3.83272 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.15286 |
| Heavy Atoms | 33 |
| Complexity | 1207.6943 |
Chemical Identifiers
| CAS Number | 1021993-93-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)OC |
Product Overview
methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate (CAS 1021993-93-0), with molecular formula C26H22N2O5 and molecular weight 442.15 g/mol. IUPAC: methyl 4-[5-(4-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate.
Chemical Property Profile of methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate
Property Insights of methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate
The XLogP value of 3.83272 indicates that methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-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 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate has 0 hydrogen bond donor(s) and 6 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 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
The CAS number of methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate is 1021993-93-0.
What is the molecular formula of methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
The molecular formula of methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate is C26H22N2O5.
What is the molecular weight of methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
The molecular weight of methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate is 442.15 g/mol.
Where can I buy methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
You can request a quote for methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4,6-dioxo-2-phenyl-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.