RefChem:1062547
TL;DR: RefChem:1062547 (CAS 76691-11-7) is a chemical compound with molecular formula C21H20F4N2O and molecular weight 392.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one
Also Known As: 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, 1-(4-Fluorophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-2-buten-1-one, (E)-1-(4-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one, RefChem:1062547, BRN 4576620
| Molecular Formula | C21H20F4N2O |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | 4.7532 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.15118 |
| Heavy Atoms | 28 |
| Complexity | 866.7195 |
Chemical Identifiers
| CAS Number | 76691-11-7 |
|---|---|
| SMILES | C/C(=C\C(=O)C1=CC=C(C=C1)F)/N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
RefChem:1062547 (CAS 76691-11-7), with molecular formula C21H20F4N2O and molecular weight 392.15 g/mol. IUPAC: (E)-1-(4-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one.
Chemical Property Profile of RefChem:1062547
Property Insights of RefChem:1062547
The XLogP value of 4.7532 indicates that RefChem:1062547 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, RefChem:1062547 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062547 has 0 hydrogen bond donor(s) and 3 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 RefChem:1062547?
The CAS number of RefChem:1062547 is 76691-11-7.
What is the molecular formula of RefChem:1062547?
The molecular formula of RefChem:1062547 is C21H20F4N2O.
What is the molecular weight of RefChem:1062547?
The molecular weight of RefChem:1062547 is 392.15 g/mol.
Where can I buy RefChem:1062547?
You can request a quote for RefChem:1062547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062547?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.