![5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole structure](/static/products/6937/693795-45-8.webp)
5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
TL;DR: 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CAS 693795-45-8) is a chemical compound with molecular formula C20H21BrN2O4 and molecular weight 432.07 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-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Also Known As: 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole, 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole, 5-((2-bromo-4-isopropylphenoxy)methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
| Molecular Formula | C20H21BrN2O4 |
|---|---|
| Molecular Weight | 432.07 g/mol |
| LogP | 5.2187 |
| Topological Polar Surface Area | 66.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.06848 |
| Heavy Atoms | 27 |
| Complexity | 924.0952 |
Chemical Identifiers
| CAS Number | 693795-45-8 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)OCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)Br |
Product Overview
5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CAS 693795-45-8), with molecular formula C20H21BrN2O4 and molecular weight 432.07 g/mol. IUPAC: 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Property Insights of 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
The XLogP value of 5.2187 indicates that 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The CAS number of 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is 693795-45-8.
What is the molecular formula of 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The molecular formula of 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is C20H21BrN2O4.
What is the molecular weight of 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The molecular weight of 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is 432.07 g/mol.
Where can I buy 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
You can request a quote for 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-{[2-bromo-4-(propan-2-yl)phenoxy]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.