(1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one
TL;DR: (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one (CAS 5561-76-2) 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.
(1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one
Also Known As: (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one, AF-407/36112011, AB00089283-01, AB00089283-03, 5-amino-6,6,6-trifluoro-1-(2-furyl)-1,4-hexadien-3-one
| Molecular Formula | C10H8F3NO2 |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 2.2668 |
| Topological Polar Surface Area | 56.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.05072 |
| Heavy Atoms | 16 |
| Complexity | 415.77258 |
Chemical Identifiers
| CAS Number | 5561-76-2 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/C(=O)/C=C(/C(F)(F)F)\N |
Product Overview
(1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one (CAS 5561-76-2), with molecular formula C10H8F3NO2 and molecular weight 231.05 g/mol. IUPAC: (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one.
Chemical Property Profile of (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one
Property Insights of (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one
The XLogP value of 2.2668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one. With a topological polar surface area (TPSA) of 56.23 Ų, (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-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 (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one?
The CAS number of (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one is 5561-76-2.
What is the molecular formula of (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one?
The molecular formula of (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one is C10H8F3NO2.
What is the molecular weight of (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one?
The molecular weight of (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one is 231.05 g/mol.
Where can I buy (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one?
You can request a quote for (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for (1E,4Z)-5-amino-6,6,6-trifluoro-1-(furan-2-yl)hexa-1,4-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.