![4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one structure](/static/products/3390/339017-28-6.webp)
4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one
TL;DR: 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one (CAS 339017-28-6) is a chemical compound with molecular formula C18H13F6NO and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3,5-bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one
Also Known As: Bionet1_002572, 4-[3,5-bis(trifluoromethyl)anilino]-3-phenyl-3-buten-2-one, 4-[3,5-bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one
| Molecular Formula | C18H13F6NO |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 5.7662 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.09012 |
| Heavy Atoms | 26 |
| Complexity | 789.56036 |
Chemical Identifiers
| CAS Number | 339017-28-6 |
|---|---|
| SMILES | CC(=O)C(=CNC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CC=CC=C2 |
Product Overview
4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one (CAS 339017-28-6), with molecular formula C18H13F6NO and molecular weight 373.09 g/mol. IUPAC: 4-[3,5-bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one.
Chemical Property Profile of 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one
Property Insights of 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one
The XLogP value of 5.7662 indicates that 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-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, 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one?
The CAS number of 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one is 339017-28-6.
What is the molecular formula of 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one?
The molecular formula of 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one is C18H13F6NO.
What is the molecular weight of 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one?
The molecular weight of 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one is 373.09 g/mol.
Where can I buy 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one?
You can request a quote for 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[3,5-Bis(trifluoromethyl)anilino]-3-phenylbut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.