![3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one structure](/static/products/7166/7166-88-3.webp)
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one
TL;DR: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one (CAS 7166-88-3) is a chemical compound with molecular formula C21H21ClF2N2O2 and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one
Also Known As: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one, 3-{4-[(4-Chlorophenyl)methyl]piperazin-1-yl}-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one
| Molecular Formula | C21H21ClF2N2O2 |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 4.4556 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.12598 |
| Heavy Atoms | 28 |
| Complexity | 802.1602 |
Chemical Identifiers
| CAS Number | 7166-88-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)Cl)C=CC(=O)C3=CC=C(C=C3)OC(F)F |
Product Overview
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one (CAS 7166-88-3), with molecular formula C21H21ClF2N2O2 and molecular weight 406.13 g/mol. IUPAC: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one.
Chemical Property Profile of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one
Property Insights of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one
The XLogP value of 4.4556 indicates that 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)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 32.78 Ų, 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)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 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one?
The CAS number of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one is 7166-88-3.
What is the molecular formula of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one?
The molecular formula of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one is C21H21ClF2N2O2.
What is the molecular weight of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one?
The molecular weight of 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one is 406.13 g/mol.
Where can I buy 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one?
You can request a quote for 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)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 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.