![4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid structure](/static/products/102/1022305-08-3.png)
4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid
TL;DR: 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid (CAS 1022305-08-3) is a chemical compound with molecular formula C25H20N2O7 and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-hydroxy-3-methoxyphenyl)-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-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid, 4-[3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid, 4-[3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid
| Molecular Formula | C25H20N2O7 |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 3.1501 |
| Topological Polar Surface Area | 116.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.12704 |
| Heavy Atoms | 34 |
| Complexity | 1276.1815 |
Chemical Identifiers
| CAS Number | 1022305-08-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)ON2C5=CC=CC=C5)O |
Product Overview
4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid (CAS 1022305-08-3), with molecular formula C25H20N2O7 and molecular weight 460.13 g/mol. IUPAC: 4-[3-(4-hydroxy-3-methoxyphenyl)-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-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid
Property Insights of 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid
The XLogP value of 3.1501 indicates that 4-(3-(4-hydroxy-3-methoxyphenyl)-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 116.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid has 2 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-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid?
The CAS number of 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid is 1022305-08-3.
What is the molecular formula of 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid?
The molecular formula of 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid is C25H20N2O7.
What is the molecular weight of 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid?
The molecular weight of 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid is 460.13 g/mol.
Where can I buy 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid?
You can request a quote for 4-(3-(4-hydroxy-3-methoxyphenyl)-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-(4-hydroxy-3-methoxyphenyl)-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-(4-hydroxy-3-methoxyphenyl)-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.