![6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid structure](/static/products/102/1022503-48-5.png)
6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid
TL;DR: 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid (CAS 1022503-48-5) is a chemical compound with molecular formula C29H28N2O8 and molecular weight 532.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2,3-dimethoxybenzoic acid
Also Known As: 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid, 6-[4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2,3-dimethoxybenzoic acid, 6-[4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2,3-dimethoxybenzoic acid
| Molecular Formula | C29H28N2O8 |
|---|---|
| Molecular Weight | 532.18 g/mol |
| LogP | 4.2419 |
| Topological Polar Surface Area | 114.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.1846 |
| Heavy Atoms | 39 |
| Complexity | 1392.4014 |
Chemical Identifiers
| CAS Number | 1022503-48-5 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=C(C(=C(C=C5)OC)OC)C(=O)O |
Product Overview
6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid (CAS 1022503-48-5), with molecular formula C29H28N2O8 and molecular weight 532.18 g/mol. IUPAC: 6-[4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2,3-dimethoxybenzoic acid.
Chemical Property Profile of 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid
Property Insights of 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid
The XLogP value of 4.2419 indicates that 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid. Following Lipinski's Rule of Five, 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid has 1 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 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid?
The CAS number of 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid is 1022503-48-5.
What is the molecular formula of 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid?
The molecular formula of 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid is C29H28N2O8.
What is the molecular weight of 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid?
The molecular weight of 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid is 532.18 g/mol.
Where can I buy 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid?
You can request a quote for 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)-2,3-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.