![3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/102/1024373-79-2.png)
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1024373-79-2) is a chemical compound with molecular formula C26H22BrN3O7 and molecular weight 567.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C26H22BrN3O7 |
|---|---|
| Molecular Weight | 567.06 g/mol |
| LogP | 4.685 |
| Topological Polar Surface Area | 122.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 567.0641 |
| Heavy Atoms | 37 |
| Complexity | 1411.7793 |
Chemical Identifiers
| CAS Number | 1024373-79-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=C(C(=C5)Br)O)OC |
Product Overview
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1024373-79-2), with molecular formula C26H22BrN3O7 and molecular weight 567.06 g/mol. IUPAC: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 4.685 indicates that 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione 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 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1024373-79-2.
What is the molecular formula of 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C26H22BrN3O7.
What is the molecular weight of 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 567.06 g/mol.
Where can I buy 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-ethylphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.