![2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid structure](/static/products/102/1022772-96-8.png)
2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid
TL;DR: 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid (CAS 1022772-96-8) is a chemical compound with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(2-ethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoic acid
Also Known As: 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid, 2-[3-(2-ethoxyphenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]benzoic Acid, 2-[5-(2-ethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoic acid, 2-[5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoic acid
| Molecular Formula | C26H22N2O6 |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 3.8346 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1478 |
| Heavy Atoms | 34 |
| Complexity | 1260.9104 |
Chemical Identifiers
| CAS Number | 1022772-96-8 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CC=C5C(=O)O |
Product Overview
2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid (CAS 1022772-96-8), with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol. IUPAC: 2-[5-(2-ethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoic acid.
Chemical Property Profile of 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid
Property Insights of 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid
The XLogP value of 3.8346 indicates that 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid. Following Lipinski's Rule of Five, 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid has 1 hydrogen bond donor(s) and 6 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 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid?
The CAS number of 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid is 1022772-96-8.
What is the molecular formula of 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid?
The molecular formula of 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid is C26H22N2O6.
What is the molecular weight of 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid?
The molecular weight of 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid is 458.15 g/mol.
Where can I buy 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid?
You can request a quote for 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-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 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-(2-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.