![3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one structure](/static/products/4782/478262-27-0.webp)
3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one
TL;DR: 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one (CAS 478262-27-0) is a chemical compound with molecular formula C25H21ClF4N4O and molecular weight 504.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one
Also Known As: 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one, 3-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}anilino)-1-(4-fluorophenyl)-2-propen-1-one
| Molecular Formula | C25H21ClF4N4O |
|---|---|
| Molecular Weight | 504.13 g/mol |
| LogP | 6.028 |
| Topological Polar Surface Area | 48.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.134 |
| Heavy Atoms | 35 |
| Complexity | 1205.6316 |
Chemical Identifiers
| CAS Number | 478262-27-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)NC=CC(=O)C3=CC=C(C=C3)F)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one (CAS 478262-27-0), with molecular formula C25H21ClF4N4O and molecular weight 504.13 g/mol. IUPAC: 3-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one.
Chemical Property Profile of 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one
Property Insights of 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one
The XLogP value of 6.028 indicates that 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)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 48.47 Ų, 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one?
The CAS number of 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one is 478262-27-0.
What is the molecular formula of 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one?
The molecular formula of 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one is C25H21ClF4N4O.
What is the molecular weight of 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one?
The molecular weight of 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one is 504.13 g/mol.
Where can I buy 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one?
You can request a quote for 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)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 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]anilino]-1-(4-fluorophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.