![4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid structure](/static/products/102/1023254-82-1.png)
4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid
TL;DR: 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid (CAS 1023254-82-1) is a chemical compound with molecular formula C24H17N3O7 and molecular weight 459.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(3-nitrophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid
Also Known As: 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid, 4-[3-(3-nitrophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid, 4-[3-(3-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid, 4-[8-(3-nitrophenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-3-yl]benzoic Acid
| Molecular Formula | C24H17N3O7 |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 3.3441 |
| Topological Polar Surface Area | 130.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.10666 |
| Heavy Atoms | 34 |
| Complexity | 1309.6566 |
Chemical Identifiers
| CAS Number | 1023254-82-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid (CAS 1023254-82-1), with molecular formula C24H17N3O7 and molecular weight 459.11 g/mol. IUPAC: 4-[3-(3-nitrophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid.
Chemical Property Profile of 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid
Property Insights of 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid
The XLogP value of 3.3441 indicates that 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid?
The CAS number of 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid is 1023254-82-1.
What is the molecular formula of 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid?
The molecular formula of 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid is C24H17N3O7.
What is the molecular weight of 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid?
The molecular weight of 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid is 459.11 g/mol.
Where can I buy 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid?
You can request a quote for 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(3-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.