![1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride structure](/static/products/104/1048649-29-1.png)
1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride
TL;DR: 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride (CAS 1048649-29-1) is a chemical compound with molecular formula C16H19ClF3N5O4 and molecular weight 437.11 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;hydrochloride
Also Known As: 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride, 3-methyl-4-(2-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)ethoxy)-1,2,5-oxadiazole hydrochloride, 3-methyl-4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,2,5-oxadiazole hydrochloride
| Molecular Formula | C16H19ClF3N5O4 |
|---|---|
| Molecular Weight | 437.11 g/mol |
| LogP | 2.92782 |
| Topological Polar Surface Area | 97.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.10776 |
| Heavy Atoms | 29 |
| Complexity | 840.203 |
Chemical Identifiers
| CAS Number | 1048649-29-1 |
|---|---|
| SMILES | CC1=NON=C1OCCN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-].Cl |
Product Overview
1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride (CAS 1048649-29-1), with molecular formula C16H19ClF3N5O4 and molecular weight 437.11 g/mol. IUPAC: 3-methyl-4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,2,5-oxadiazole;hydrochloride.
Chemical Property Profile of 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride
Property Insights of 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride
The XLogP value of 2.92782 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 hydrochloride. 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 hydrochloride. 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 hydrochloride 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 hydrochloride?
The CAS number of 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride is 1048649-29-1.
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 hydrochloride?
The molecular formula of 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride is C16H19ClF3N5O4.
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 hydrochloride?
The molecular weight of 1-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride is 437.11 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 hydrochloride?
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 hydrochloride 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 hydrochloride?
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 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.