![(2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one structure](/static/products/902/902310-98-9.png)
(2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
TL;DR: (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one (CAS 902310-98-9) is a chemical compound with molecular formula C21H18F3N3OS and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Also Known As: (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one, (E)-1-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)-3-(3-(trifluoromethyl)phenyl)prop-2-en-1-one, (E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
| Molecular Formula | C21H18F3N3OS |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 4.6771 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.11227 |
| Heavy Atoms | 29 |
| Complexity | 1052.506 |
Chemical Identifiers
| CAS Number | 902310-98-9 |
|---|---|
| SMILES | C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)/C=C/C4=CC(=CC=C4)C(F)(F)F |
Product Overview
(2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one (CAS 902310-98-9), with molecular formula C21H18F3N3OS and molecular weight 417.11 g/mol. IUPAC: (E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one.
Chemical Property Profile of (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Property Insights of (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
The XLogP value of 4.6771 indicates that (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.44 Ų, (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one 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 (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
The CAS number of (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is 902310-98-9.
What is the molecular formula of (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
The molecular formula of (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is C21H18F3N3OS.
What is the molecular weight of (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
The molecular weight of (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is 417.11 g/mol.
Where can I buy (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
You can request a quote for (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.