2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl-
TL;DR: 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl- (CAS 70168-22-8) is a chemical compound with molecular formula C10H8F3NO and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one
Also Known As: 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl-, 3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one, 3-amino-4,4,4-trifluoro-1-phenyl-2-buten-1-one, 2-Buten-1-one, 3-amino-1-phenyl-4,4,4-trifluoro-, RefChem:257870
| Molecular Formula | C10H8F3NO |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.0558 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 70168-22-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=C(C(F)(F)F)N |
| InChIKey | TUUKLDIAZOOYSM-UHFFFAOYSA-N |
Product Overview
2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl- (CAS 70168-22-8), with molecular formula C10H8F3NO and molecular weight 215.06 g/mol. IUPAC: 3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl-
Property Insights of 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl-. With a topological polar surface area (TPSA) of 43.1 Ų, 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl- has 1 hydrogen bond donor(s) and 5 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 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl-?
The CAS number of 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl- is 70168-22-8.
What is the molecular formula of 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl-?
The molecular formula of 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl- is C10H8F3NO.
What is the molecular weight of 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl-?
The molecular weight of 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl- is 215.06 g/mol.
Where can I buy 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl-?
You can request a quote for 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl- 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, 3-amino-4,4,4-trifluoro-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.