![1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine structure](/static/products/7012/701245-85-4.webp)
1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine
TL;DR: 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CAS 701245-85-4) is a chemical compound with molecular formula C20H21F3N2O3S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfonyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
Also Known As: AJ-292/42648692, 1-[(benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine, 2-benzylsulfonyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone, 2-(benzylsulfonyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone, 2-[benzylsulfonyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazinyl}ethan-1-one
| Molecular Formula | C20H21F3N2O3S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 2.969 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.1225 |
| Heavy Atoms | 29 |
| Complexity | 954.43677 |
Chemical Identifiers
| CAS Number | 701245-85-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CS(=O)(=O)CC3=CC=CC=C3 |
Product Overview
1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CAS 701245-85-4), with molecular formula C20H21F3N2O3S and molecular weight 426.12 g/mol. IUPAC: 2-benzylsulfonyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
Chemical Property Profile of 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Property Insights of 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine
The XLogP value of 2.969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine. With a topological polar surface area (TPSA) of 57.69 Ų, 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine has 0 hydrogen bond donor(s) and 4 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-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The CAS number of 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine is 701245-85-4.
What is the molecular formula of 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The molecular formula of 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine is C20H21F3N2O3S.
What is the molecular weight of 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The molecular weight of 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine is 426.12 g/mol.
Where can I buy 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
You can request a quote for 1-[(Benzylsulfonyl)acetyl]-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-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Benzylsulfonyl)acetyl]-4-[3-(trifluoromethyl)phenyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.