![1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one structure](/static/products/3390/339012-79-2.webp)
1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
TL;DR: 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one (CAS 339012-79-2) is a chemical compound with molecular formula C14H9ClF3NOS and molecular weight 331.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
Also Known As: 1-(3-chloro-2-thienyl)-3-[3-(trifluoromethyl)anilino]-2-propen-1-one, 1-(3-chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
| Molecular Formula | C14H9ClF3NOS |
|---|---|
| Molecular Weight | 331.00 g/mol |
| LogP | 5.2288 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.00455 |
| Heavy Atoms | 21 |
| Complexity | 678.8538 |
Chemical Identifiers
| CAS Number | 339012-79-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC=CC(=O)C2=C(C=CS2)Cl)C(F)(F)F |
Product Overview
1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one (CAS 339012-79-2), with molecular formula C14H9ClF3NOS and molecular weight 331.00 g/mol. IUPAC: 1-(3-chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one.
Chemical Property Profile of 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
Property Insights of 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
The XLogP value of 5.2288 indicates that 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]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 29.1 Ų, 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one has 1 hydrogen bond donor(s) and 3 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-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one?
The CAS number of 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one is 339012-79-2.
What is the molecular formula of 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one?
The molecular formula of 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one is C14H9ClF3NOS.
What is the molecular weight of 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one?
The molecular weight of 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one is 331.00 g/mol.
Where can I buy 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one?
You can request a quote for 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)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-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorothiophen-2-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.