3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one
TL;DR: 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one (CAS 240417-75-8) is a chemical compound with molecular formula C10H8F3NO2 and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)but-2-en-1-one
Also Known As: 3-amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one, BIM-0022248.P001, (2Z)-3-amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)but-2-en-1-one, (Z)-3-amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)but-2-en-1-one, A1098/0051585
| Molecular Formula | C10H8F3NO2 |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 1.9798 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.05072 |
| Heavy Atoms | 16 |
| Complexity | 437.93542 |
Chemical Identifiers
| CAS Number | 240417-75-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)/C=C(/C(F)(F)F)\N)O |
Product Overview
3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one (CAS 240417-75-8), with molecular formula C10H8F3NO2 and molecular weight 231.05 g/mol. IUPAC: (Z)-3-amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)but-2-en-1-one.
Chemical Property Profile of 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one
Property Insights of 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one
The XLogP value of 1.9798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one. Following Lipinski's Rule of Five, 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one has 2 hydrogen bond donor(s) and 3 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 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one?
The CAS number of 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one is 240417-75-8.
What is the molecular formula of 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one?
The molecular formula of 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one is C10H8F3NO2.
What is the molecular weight of 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one?
The molecular weight of 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one is 231.05 g/mol.
Where can I buy 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one?
You can request a quote for 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4,4,4-trifluoro-1-(2-hydroxyphenyl)-2-buten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.