3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
TL;DR: 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one (CAS 119577-50-3) is a chemical compound with molecular formula C6H6BrF3O2 and molecular weight 245.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
Also Known As: 3-bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one, 3-Buten-2-one, 3-bromo-4-ethoxy-1,1,1-trifluoro-, 3-Bromo-4-ethoxy-1,1,1-trifluoro-but-3-en-2-one, 3-Bromo-4-ethoxy-1,1,1-trifluoro-3-buten-2-one, 874-552-3
| Molecular Formula | C6H6BrF3O2 |
|---|---|
| Molecular Weight | 245.95 g/mol |
| LogP | 2.3906 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.95033 |
| Heavy Atoms | 12 |
| Complexity | 197.4601 |
Chemical Identifiers
| CAS Number | 119577-50-3 |
|---|---|
| SMILES | CCOC=C(C(=O)C(F)(F)F)Br |
Product Overview
3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one (CAS 119577-50-3), with molecular formula C6H6BrF3O2 and molecular weight 245.95 g/mol. IUPAC: 3-bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one.
Chemical Property Profile of 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
Property Insights of 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 2.3906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one has 0 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-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one?
The CAS number of 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one is 119577-50-3.
What is the molecular formula of 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one is C6H6BrF3O2.
What is the molecular weight of 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one is 245.95 g/mol.
Where can I buy 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-ethoxy-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.