(E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one
TL;DR: (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one (CAS 338402-46-3) is a chemical compound with molecular formula C14H8Cl2F3NO2S and molecular weight 380.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dichlorothiophen-3-yl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
Also Known As: Bionet1_003086, (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one, 1-(2,5-dichlorothiophen-3-yl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
| Molecular Formula | C14H8Cl2F3NO2S |
|---|---|
| Molecular Weight | 380.96 g/mol |
| LogP | 5.762 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.96048 |
| Heavy Atoms | 23 |
| Complexity | 726.6139 |
Chemical Identifiers
| CAS Number | 338402-46-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=CC(=O)C2=C(SC(=C2)Cl)Cl)OC(F)(F)F |
Product Overview
(E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one (CAS 338402-46-3), with molecular formula C14H8Cl2F3NO2S and molecular weight 380.96 g/mol. IUPAC: 1-(2,5-dichlorothiophen-3-yl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one.
Chemical Property Profile of (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one
Property Insights of (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one
The XLogP value of 5.762 indicates that (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one?
The CAS number of (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one is 338402-46-3.
What is the molecular formula of (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one?
The molecular formula of (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one is C14H8Cl2F3NO2S.
What is the molecular weight of (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one?
The molecular weight of (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one is 380.96 g/mol.
Where can I buy (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one?
You can request a quote for (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(2,5-dichloro-3-thienyl)-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.