![4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate structure](/static/products/1022/1022480-52-9.webp)
4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate
TL;DR: 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate (CAS 1022480-52-9) is a chemical compound with molecular formula C31H23FN2O6 and molecular weight 538.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4,6-dioxo-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl] 4-fluorobenzoate
Also Known As: 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate, [4-(4,6-dioxo-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl] 4-fluorobenzoate, 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate
| Molecular Formula | C31H23FN2O6 |
|---|---|
| Molecular Weight | 538.15 g/mol |
| LogP | 5.1046 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.154 |
| Heavy Atoms | 40 |
| Complexity | 1578.9662 |
Chemical Identifiers
| CAS Number | 1022480-52-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=CC=C5)OC(=O)C6=CC=C(C=C6)F |
Product Overview
4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate (CAS 1022480-52-9), with molecular formula C31H23FN2O6 and molecular weight 538.15 g/mol. IUPAC: [4-(4,6-dioxo-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl] 4-fluorobenzoate.
Chemical Property Profile of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate
Property Insights of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate
The XLogP value of 5.1046 indicates that 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate. Following Lipinski's Rule of Five, 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 7 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-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate?
The CAS number of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate is 1022480-52-9.
What is the molecular formula of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate?
The molecular formula of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate is C31H23FN2O6.
What is the molecular weight of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate?
The molecular weight of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate is 538.15 g/mol.
Where can I buy 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate?
You can request a quote for 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate 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-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.