![1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine structure](/static/products/3318/331855-69-7.webp)
1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
TL;DR: 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CAS 331855-69-7) is a chemical compound with molecular formula C16H16F3N3O2S and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5-nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Also Known As: AB00078105-01, 1-[(5-nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine, Piperazine, 1-(3-trifluoromethylphenyl)-4-(5-nitro-2-thienylmethyl)-, 1-((5-nitrothiophen-2-yl)methyl)-4-(3-(trifluoromethyl)phenyl)piperazine, 1-[(5-Nitro-2-thienyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine #
| Molecular Formula | C16H16F3N3O2S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.09152 |
| Heavy Atoms | 25 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 331855-69-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(S2)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | QYGCVZZOHWULMS-UHFFFAOYSA-N |
Product Overview
1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CAS 331855-69-7), with molecular formula C16H16F3N3O2S and molecular weight 371.09 g/mol. IUPAC: 1-[(5-nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
Chemical Property Profile of 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Property Insights of 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
The XLogP value of 4.1 indicates that 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine. Following Lipinski's Rule of Five, 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(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-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The CAS number of 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is 331855-69-7.
What is the molecular formula of 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The molecular formula of 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is C16H16F3N3O2S.
What is the molecular weight of 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The molecular weight of 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is 371.09 g/mol.
Where can I buy 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
You can request a quote for 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(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-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(5-Nitrothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.