![5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione structure](/static/products/1024/1024306-10-2.webp)
5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
TL;DR: 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1024306-10-2) 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.
5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C26H22BrN3O7 |
|---|---|
| Molecular Weight | 567.06 g/mol |
| LogP | 4.5083 |
| Topological Polar Surface Area | 122.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 567.0641 |
| Heavy Atoms | 37 |
| Complexity | 1383.8381 |
Chemical Identifiers
| CAS Number | 1024306-10-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC(=CC=C5)[N+](=O)[O-])Br)O |
Product Overview
5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1024306-10-2), with molecular formula C26H22BrN3O7 and molecular weight 567.06 g/mol. IUPAC: 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Property Insights of 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
The XLogP value of 4.5083 indicates that 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-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 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-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 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?
The CAS number of 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1024306-10-2.
What is the molecular formula of 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?
The molecular formula of 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C26H22BrN3O7.
What is the molecular weight of 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?
The molecular weight of 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 567.06 g/mol.
Where can I buy 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?
You can request a quote for 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-benzyl-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.