![1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one structure](/static/products/3389/338968-29-9.webp)
1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
TL;DR: 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one (CAS 338968-29-9) is a chemical compound with molecular formula C23H16ClF3N2O6S and molecular weight 540.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
Also Known As: 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one, 1-(3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrophenyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one, 1-[3-[[(4-Chlorophenyl)sulfonyl]methyl]-4-nitrophenyl]-3-[[4-(trifluoromethoxy)phenyl]amino]-2-propen-1-one
| Molecular Formula | C23H16ClF3N2O6S |
|---|---|
| Molecular Weight | 540.04 g/mol |
| LogP | 5.9292 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 540.037 |
| Heavy Atoms | 36 |
| Complexity | 1407.2567 |
Chemical Identifiers
| CAS Number | 338968-29-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=CC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=C(C=C3)Cl)OC(F)(F)F |
Product Overview
1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one (CAS 338968-29-9), with molecular formula C23H16ClF3N2O6S and molecular weight 540.04 g/mol. IUPAC: 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one.
Chemical Property Profile of 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
Property Insights of 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
The XLogP value of 5.9292 indicates that 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one. Following Lipinski's Rule of Five, 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one?
The CAS number of 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one is 338968-29-9.
What is the molecular formula of 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one?
The molecular formula of 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one is C23H16ClF3N2O6S.
What is the molecular weight of 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one?
The molecular weight of 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one is 540.04 g/mol.
Where can I buy 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one?
You can request a quote for 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]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-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.