![4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate structure](/static/products/102/1024249-31-7.png)
4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate
TL;DR: 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate (CAS 1024249-31-7) is a chemical compound with molecular formula C31H24N2O5 and molecular weight 504.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[5-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate
Also Known As: 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate, [4-[3-(2-methylphenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate, [4-[5-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate, 4-[5-(2-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
| Molecular Formula | C31H24N2O5 |
|---|---|
| Molecular Weight | 504.17 g/mol |
| LogP | 5.26532 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.16852 |
| Heavy Atoms | 38 |
| Complexity | 1504.5632 |
Chemical Identifiers
| CAS Number | 1024249-31-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6 |
Product Overview
4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate (CAS 1024249-31-7), with molecular formula C31H24N2O5 and molecular weight 504.17 g/mol. IUPAC: [4-[5-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate.
Chemical Property Profile of 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate
Property Insights of 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate
The XLogP value of 5.26532 indicates that 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl 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 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate. Following Lipinski's Rule of Five, 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate?
The CAS number of 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate is 1024249-31-7.
What is the molecular formula of 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate?
The molecular formula of 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate is C31H24N2O5.
What is the molecular weight of 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate?
The molecular weight of 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate is 504.17 g/mol.
Where can I buy 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate?
You can request a quote for 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,6-dioxo-2-phenyl-5-(o-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.