![methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate structure](/static/products/102/1022453-52-6.png)
methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate
TL;DR: methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate (CAS 1022453-52-6) is a chemical compound with molecular formula C26H22N2O7 and molecular weight 474.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Also Known As: methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate, methyl 4-[3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate, methyl 4-[3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
| Molecular Formula | C26H22N2O7 |
|---|---|
| Molecular Weight | 474.14 g/mol |
| LogP | 3.2385 |
| Topological Polar Surface Area | 105.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.1427 |
| Heavy Atoms | 35 |
| Complexity | 1292.8123 |
Chemical Identifiers
| CAS Number | 1022453-52-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC)ON2C5=CC=CC=C5)O |
Product Overview
methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate (CAS 1022453-52-6), with molecular formula C26H22N2O7 and molecular weight 474.14 g/mol. IUPAC: methyl 4-[3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate.
Chemical Property Profile of methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate
Property Insights of methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate
The XLogP value of 3.2385 indicates that methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate has 1 hydrogen bond donor(s) and 8 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 methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate?
The CAS number of methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate is 1022453-52-6.
What is the molecular formula of methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate?
The molecular formula of methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate is C26H22N2O7.
What is the molecular weight of methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate?
The molecular weight of methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate is 474.14 g/mol.
Where can I buy methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate?
You can request a quote for methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.