sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate
TL;DR: sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate (CAS 53009-81-7) is a chemical compound with molecular formula C9H6FNaO2 and molecular weight 188.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium (E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate
Also Known As: sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate, sodium 3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate, sodium3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate, Sodium 3-(4-fluorophenyl)-3-oxo-prop-1-en-1-olate, sodium (E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate
| Molecular Formula | C9H6FNaO2 |
|---|---|
| Molecular Weight | 188.02 g/mol |
| LogP | -2.1136 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.02495 |
| Heavy Atoms | 13 |
| Complexity | 305.89566 |
Chemical Identifiers
| CAS Number | 53009-81-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)/C=C/[O-])F.[Na+] |
Product Overview
sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate (CAS 53009-81-7), with molecular formula C9H6FNaO2 and molecular weight 188.02 g/mol. IUPAC: sodium (E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate.
Chemical Property Profile of sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate
Property Insights of sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate
The XLogP value of -2.1136 indicates that sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.13 Ų, sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate 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 sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate?
The CAS number of sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate is 53009-81-7.
What is the molecular formula of sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate?
The molecular formula of sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate is C9H6FNaO2.
What is the molecular weight of sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate?
The molecular weight of sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate is 188.02 g/mol.
Where can I buy sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate?
You can request a quote for sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate?
Yes, KEHONG BIO provides custom synthesis services for sodium (1E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.