3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole
TL;DR: 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole (CAS 310457-81-9) is a chemical compound with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-[2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]aniline
Also Known As: BAS 00434887, 3-(2-{4-nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole, 4-nitro-N-[2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]aniline, A0851/0039843, (4-Nitro-phenyl)-[2-(4-phenyl-furazan-3-yloxy)-ethyl]-amine
| Molecular Formula | C16H14N4O4 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.1015 |
| Heavy Atoms | 24 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 310457-81-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NON=C2OCCNC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | AWTXCWWWHSUVMQ-UHFFFAOYSA-N |
Product Overview
3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole (CAS 310457-81-9), with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol. IUPAC: 4-nitro-N-[2-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]aniline.
Chemical Property Profile of 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole
Property Insights of 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole
The XLogP value of 3.2 indicates that 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole. Following Lipinski's Rule of Five, 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole has 1 hydrogen bond donor(s) and 7 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-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole?
The CAS number of 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole is 310457-81-9.
What is the molecular formula of 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole?
The molecular formula of 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole is C16H14N4O4.
What is the molecular weight of 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole?
The molecular weight of 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole is 326.10 g/mol.
Where can I buy 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole?
You can request a quote for 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-{4-Nitroanilino}ethoxy)-4-phenyl-1,2,5-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.