![[4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate structure](/static/products/102/1022207-75-5.png)
[4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate
TL;DR: [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate (CAS 1022207-75-5) is a chemical compound with molecular formula C31H24N2O6 and molecular weight 520.16 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] benzoate
Also Known As: [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate|[4-(4,6-dioxo-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl] benzoate|4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2-methoxyphenyl benzoate|4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2-methoxyphenyl benzoate
| Molecular Formula | C31H24N2O6 |
|---|---|
| Molecular Weight | 520.16 g/mol |
| LogP | 4.9655 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.16345 |
| Heavy Atoms | 39 |
| Complexity | 1526.9862 |
Chemical Identifiers
| CAS Number | 1022207-75-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
Product Overview
[4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate (CAS 1022207-75-5), with molecular formula C31H24N2O6 and molecular weight 520.16 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] benzoate.
Chemical Property Profile of [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate
Property Insights of [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate
The XLogP value of 4.9655 indicates that [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate 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-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate. Following Lipinski's Rule of Five, [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate 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-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate?
The CAS number of [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate is 1022207-75-5.
What is the molecular formula of [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate?
The molecular formula of [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate is C31H24N2O6.
What is the molecular weight of [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate?
The molecular weight of [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate is 520.16 g/mol.
Where can I buy [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate?
You can request a quote for [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-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-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)-2-methoxy-phenyl] Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.