![1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine structure](/static/products/6773/677345-87-8.webp)
1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
TL;DR: 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine (CAS 677345-87-8) is a chemical compound with molecular formula C16H18F3N5O4 and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,2,5-oxadiazole
Also Known As: 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine, 3-methyl-4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,2,5-oxadiazole, 1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
| Molecular Formula | C16H18F3N5O4 |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 2.50602 |
| Topological Polar Surface Area | 97.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1311 |
| Heavy Atoms | 28 |
| Complexity | 833.9275 |
Chemical Identifiers
| CAS Number | 677345-87-8 |
|---|---|
| SMILES | CC1=NON=C1OCCN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine (CAS 677345-87-8), with molecular formula C16H18F3N5O4 and molecular weight 401.13 g/mol. IUPAC: 3-methyl-4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,2,5-oxadiazole.
Chemical Property Profile of 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Property Insights of 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
The XLogP value of 2.50602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine. The TPSA of 97.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine. Following Lipinski's Rule of Five, 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine has 0 hydrogen bond donor(s) and 8 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 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
The CAS number of 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine is 677345-87-8.
What is the molecular formula of 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
The molecular formula of 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine is C16H18F3N5O4.
What is the molecular weight of 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
The molecular weight of 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine is 401.13 g/mol.
Where can I buy 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
You can request a quote for 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.