(E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one
TL;DR: (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one (CAS 723294-79-9) is a chemical compound with molecular formula C13H14F3NO and molecular weight 257.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one
Also Known As: (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one, 1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one, (E)-1,1,1-trifluoro-4-(isopropylamino)-4-phenyl-but-3-en-2-one, 4-ISOPROPYLAMINO-4-PHENYL-1,1,1-TRIFLUORO-BUT-3-EN-2-ONE, 4-Isopropylamino-4-phenyl-1,1,1-trifluoro-but-3-en-2-one; 97%
| Molecular Formula | C13H14F3NO |
|---|---|
| Molecular Weight | 257.10 g/mol |
| LogP | 3.1569 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.10275 |
| Heavy Atoms | 18 |
| Complexity | 435.29962 |
Chemical Identifiers
| CAS Number | 723294-79-9 |
|---|---|
| SMILES | CC(C)N/C(=C/C(=O)C(F)(F)F)/C1=CC=CC=C1 |
Product Overview
(E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one (CAS 723294-79-9), with molecular formula C13H14F3NO and molecular weight 257.10 g/mol. IUPAC: (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one.
Chemical Property Profile of (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one
Property Insights of (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one
The XLogP value of 3.1569 indicates that (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-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, (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one?
The CAS number of (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one is 723294-79-9.
What is the molecular formula of (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one?
The molecular formula of (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one is C13H14F3NO.
What is the molecular weight of (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one?
The molecular weight of (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one is 257.10 g/mol.
Where can I buy (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one?
You can request a quote for (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-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 (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1,1,1-trifluoro-4-phenyl-4-(propan-2-ylamino)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.