3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)-
TL;DR: 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)- (CAS 120417-45-0) is a chemical compound with molecular formula C4H4F3NO and molecular weight 139.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1,1,1-trifluorobut-3-en-2-one
Also Known As: 4-Amino-1,1,1-trifluorobut-3-en-2-one, 4-amino-1,1,1-trifluoro-3-buten-2-one, HiFHpAhIAICICHiCLjifACP, 2-Trifluoroacetyl vinyl amine, aminovinyl trifluoromethyl ketone
| Molecular Formula | C4H4F3NO |
|---|---|
| Molecular Weight | 139.02 g/mol |
| LogP | 0.5902 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.0245 |
| Heavy Atoms | 9 |
| Complexity | 137.2384 |
Chemical Identifiers
| CAS Number | 120417-45-0 |
|---|---|
| SMILES | C(=CN)C(=O)C(F)(F)F |
Product Overview
3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)- (CAS 120417-45-0), with molecular formula C4H4F3NO and molecular weight 139.02 g/mol. IUPAC: 4-amino-1,1,1-trifluorobut-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)-
Property Insights of 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)-
The XLogP value of 0.5902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)-. With a topological polar surface area (TPSA) of 43.09 Ų, 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)- 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 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)-?
The CAS number of 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)- is 120417-45-0.
What is the molecular formula of 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)-?
The molecular formula of 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)- is C4H4F3NO.
What is the molecular weight of 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)-?
The molecular weight of 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)- is 139.02 g/mol.
Where can I buy 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)-?
You can request a quote for 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.