3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one
TL;DR: 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one (CAS 76165-58-7) is a chemical compound with molecular formula C9H6F5NOS and molecular weight 271.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-amino-4,4,5,5,5-pentafluoro-1-thiophen-2-ylpent-2-en-1-one
Also Known As: 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one, 3-Amino-4,4,5,5,5-pentafluoro-1-(thiophen-2-yl)pent-2-en-1-one, 3-amino-4,4,5,5,5-pentafluoro-1-thiophen-2-yl-pent-2-en-1-one, (2Z)-3-amino-4,4,5,5,5-pentafluoro-1-(thiophen-2-yl)pent-2-en-1-one, (Z)-3-amino-4,4,5,5,5-pentafluoro-1-(thiophen-2-yl)pent-2-en-1-one
| Molecular Formula | C9H6F5NOS |
|---|---|
| Molecular Weight | 271.01 g/mol |
| LogP | 2.971 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.00903 |
| Heavy Atoms | 17 |
| Complexity | 434.73874 |
Chemical Identifiers
| CAS Number | 76165-58-7 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)/C=C(/C(C(F)(F)F)(F)F)\N |
Product Overview
3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one (CAS 76165-58-7), with molecular formula C9H6F5NOS and molecular weight 271.01 g/mol. IUPAC: (Z)-3-amino-4,4,5,5,5-pentafluoro-1-thiophen-2-ylpent-2-en-1-one.
Chemical Property Profile of 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one
Property Insights of 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one
The XLogP value of 2.971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one. With a topological polar surface area (TPSA) of 43.09 Ų, 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-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-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one?
The CAS number of 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one is 76165-58-7.
What is the molecular formula of 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one?
The molecular formula of 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one is C9H6F5NOS.
What is the molecular weight of 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one?
The molecular weight of 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one is 271.01 g/mol.
Where can I buy 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one?
You can request a quote for 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-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-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4,4,5,5,5-pentafluoro-1-(2-thienyl)-2-penten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.