![5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole structure](/static/products/713/713085-37-1.png)
5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole
TL;DR: 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 713085-37-1) is a chemical compound with molecular formula C18H16BrN3O4 and molecular weight 417.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
Also Known As: 5-((2-bromo-4-isopropylphenoxy)methyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole, 5-[(2-bromo-4-propan-2-yl-phenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole, 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole, 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole
| Molecular Formula | C18H16BrN3O4 |
|---|---|
| Molecular Weight | 417.03 g/mol |
| LogP | 5.1097 |
| Topological Polar Surface Area | 91.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.0324 |
| Heavy Atoms | 26 |
| Complexity | 922.44055 |
Chemical Identifiers
| CAS Number | 713085-37-1 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])Br |
Product Overview
5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 713085-37-1), with molecular formula C18H16BrN3O4 and molecular weight 417.03 g/mol. IUPAC: 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole
Property Insights of 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole
The XLogP value of 5.1097 indicates that 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The CAS number of 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole is 713085-37-1.
What is the molecular formula of 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular formula of 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole is C18H16BrN3O4.
What is the molecular weight of 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole?
The molecular weight of 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole is 417.03 g/mol.
Where can I buy 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole?
You can request a quote for 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-{[2-Bromo-4-(propan-2-yl)phenoxy]methyl}-3-(4-nitrophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.