3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one
TL;DR: 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one (CAS 70204-09-0) is a chemical compound with molecular formula C8H6F3NOS and molecular weight 221.01 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-thiophen-2-ylbut-2-en-1-one
Also Known As: 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one, J1.230.386F, AB00087992-01, AF-407/07425027, 3-Amino-4,4,4-trifluoro-1-(thiophen-2-yl)but-2-en-1-one
| Molecular Formula | C8H6F3NOS |
|---|---|
| Molecular Weight | 221.01 g/mol |
| LogP | 2.3357 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.01222 |
| Heavy Atoms | 14 |
| Complexity | 353.16333 |
Chemical Identifiers
| CAS Number | 70204-09-0 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)/C=C(/C(F)(F)F)\N |
Product Overview
3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one (CAS 70204-09-0), with molecular formula C8H6F3NOS and molecular weight 221.01 g/mol. IUPAC: (Z)-3-amino-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one.
Chemical Property Profile of 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one
Property Insights of 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one
The XLogP value of 2.3357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one. With a topological polar surface area (TPSA) of 43.09 Ų, 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one has 1 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-thienyl)-2-buten-1-one?
The CAS number of 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one is 70204-09-0.
What is the molecular formula of 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one?
The molecular formula of 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one is C8H6F3NOS.
What is the molecular weight of 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one?
The molecular weight of 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one is 221.01 g/mol.
Where can I buy 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one?
You can request a quote for 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-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-thienyl)-2-buten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4,4,4-trifluoro-1-(2-thienyl)-2-buten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.