2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl-
TL;DR: 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl- (CAS 100482-56-2) is a chemical compound with molecular formula C19H10F6O and molecular weight 368.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-anthracen-9-yl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
Also Known As: 1-(9-Anthryl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one, 2-(4-CHLORO-PHENYL)-AZEPANE, 2-BUTEN-1-ONE, 1-(9-ANTHRYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-, 1-anthracen-9-yl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one, 2-Buten-1-one,4,4-trifluoro-3-(trifluoromethyl)-
| Molecular Formula | C19H10F6O |
|---|---|
| Molecular Weight | 368.06 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.0636 |
| Heavy Atoms | 26 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 100482-56-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)C=C(C(F)(F)F)C(F)(F)F |
| InChIKey | PYROREKRSROOQY-UHFFFAOYSA-N |
Product Overview
2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl- (CAS 100482-56-2), with molecular formula C19H10F6O and molecular weight 368.06 g/mol. IUPAC: 1-anthracen-9-yl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl-
Property Insights of 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl-
The XLogP value of 6.6 indicates that 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl- has 0 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 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl-?
The CAS number of 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl- is 100482-56-2.
What is the molecular formula of 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular formula of 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl- is C19H10F6O.
What is the molecular weight of 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular weight of 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl- is 368.06 g/mol.
Where can I buy 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl-?
You can request a quote for 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.