![[4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate structure](/static/products/102/1023446-09-4.png)
[4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate
TL;DR: [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate (CAS 1023446-09-4) is a chemical compound with molecular formula C33H28N2O6 and molecular weight 548.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate
Also Known As: [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate|[4-[4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate|4-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate|4-[4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
| Molecular Formula | C33H28N2O6 |
|---|---|
| Molecular Weight | 548.19 g/mol |
| LogP | 5.7457 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.19476 |
| Heavy Atoms | 41 |
| Complexity | 1540.6815 |
Chemical Identifiers
| CAS Number | 1023446-09-4 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6 |
Product Overview
[4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate (CAS 1023446-09-4), with molecular formula C33H28N2O6 and molecular weight 548.19 g/mol. IUPAC: [4-[4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate.
Chemical Property Profile of [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate
Property Insights of [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate
The XLogP value of 5.7457 indicates that [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]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-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate. Following Lipinski's Rule of Five, [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]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-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
The CAS number of [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate is 1023446-09-4.
What is the molecular formula of [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
The molecular formula of [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate is C33H28N2O6.
What is the molecular weight of [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
The molecular weight of [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate is 548.19 g/mol.
Where can I buy [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
You can request a quote for [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-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-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[2,4-dioxo-7-phenyl-3-(4-propoxyphenyl)-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.