![[4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate structure](/static/products/102/1024256-49-2.png)
[4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate
TL;DR: [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate (CAS 1024256-49-2) is a chemical compound with molecular formula C31H23N3O7 and molecular weight 549.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[5-benzyl-2-(4-nitrophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate
Also Known As: [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate|[4-[5-benzyl-2-(4-nitrophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate|4-(5-benzyl-2-(4-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate|4-[5-benzyl-2-(4-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
| Molecular Formula | C31H23N3O7 |
|---|---|
| Molecular Weight | 549.15 g/mol |
| LogP | 4.8607 |
| Topological Polar Surface Area | 119.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 549.1536 |
| Heavy Atoms | 41 |
| Complexity | 1609.5618 |
Chemical Identifiers
| CAS Number | 1024256-49-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6 |
Product Overview
[4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate (CAS 1024256-49-2), with molecular formula C31H23N3O7 and molecular weight 549.15 g/mol. IUPAC: [4-[5-benzyl-2-(4-nitrophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate.
Chemical Property Profile of [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate
Property Insights of [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate
The XLogP value of 4.8607 indicates that [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-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 119.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate. Following Lipinski's Rule of Five, [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
The CAS number of [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate is 1024256-49-2.
What is the molecular formula of [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
The molecular formula of [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate is C31H23N3O7.
What is the molecular weight of [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
The molecular weight of [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate is 549.15 g/mol.
Where can I buy [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
You can request a quote for [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-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-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-benzyl-7-(4-nitrophenyl)-2,4-dioxo-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.