![3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole structure](/static/products/4325/432541-29-2.webp)
3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole
TL;DR: 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole (CAS 432541-29-2) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
Also Known As: 3-(3-nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole, 3-(3-nitrophenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole, 5-((4-isopropylphenoxy)methyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 94.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 432541-29-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | CDFDAKBYKGAIRZ-UHFFFAOYSA-N |
Product Overview
3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole (CAS 432541-29-2), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: 3-(3-nitrophenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole.
Chemical Property Profile of 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole
Property Insights of 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole
The XLogP value of 4.3 indicates that 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole?
The CAS number of 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole is 432541-29-2.
What is the molecular formula of 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole?
The molecular formula of 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole is C18H17N3O4.
What is the molecular weight of 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole?
The molecular weight of 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole is 339.12 g/mol.
Where can I buy 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole?
You can request a quote for 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-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 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Nitrophenyl)-5-{[4-(propan-2-yl)phenoxy]methyl}-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.