![1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one structure](/static/products/2583/258353-15-0.webp)
1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one
TL;DR: 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one (CAS 258353-15-0) is a chemical compound with molecular formula C29H22F6N2O4 and molecular weight 576.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-benzoylpiperidin-1-yl)-3-nitrophenyl]-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-en-1-one
Also Known As: 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one, 1-[4-(4-benzoyl-1-piperidyl)-3-nitro-phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-en-1-one, 1-[4-(4-benzoylpiperidin-1-yl)-3-nitrophenyl]-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-en-1-one
| Molecular Formula | C29H22F6N2O4 |
|---|---|
| Molecular Weight | 576.15 g/mol |
| LogP | 7.6278 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 576.1484 |
| Heavy Atoms | 41 |
| Complexity | 1459.1268 |
Chemical Identifiers
| CAS Number | 258353-15-0 |
|---|---|
| SMILES | C1CN(CCC1C(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)C=CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one (CAS 258353-15-0), with molecular formula C29H22F6N2O4 and molecular weight 576.15 g/mol. IUPAC: 1-[4-(4-benzoylpiperidin-1-yl)-3-nitrophenyl]-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-en-1-one.
Chemical Property Profile of 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one
Property Insights of 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one
The XLogP value of 7.6278 indicates that 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one. Following Lipinski's Rule of Five, 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one has 0 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 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one?
The CAS number of 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one is 258353-15-0.
What is the molecular formula of 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one?
The molecular formula of 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one is C29H22F6N2O4.
What is the molecular weight of 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one?
The molecular weight of 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one is 576.15 g/mol.
Where can I buy 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one?
You can request a quote for 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(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 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-benzoylpiperidino)-3-nitrophenyl]-3-[3,5-di(trifluoromethyl)phenyl]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.