Sodium 3-oxo-3-phenylprop-1-en-1-olate
TL;DR: Sodium 3-oxo-3-phenylprop-1-en-1-olate (CAS 13567-16-3) is a chemical compound with molecular formula C9H7NaO2 and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium (E)-3-oxo-3-phenylprop-1-en-1-olate
Also Known As: 3-Hydroxyacrylophenone sodium salt, sodium 3-oxo-3-phenylprop-1-en-1-olate, Acrylophenone, 3-hydroxy-, sodium salt, sodium 3-phenyl-3-oxo-propen-1-olate, sodium (E)-3-oxo-3-phenylprop-1-en-1-olate
| Molecular Formula | C9H7NaO2 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | -2.2527 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.03438 |
| Heavy Atoms | 12 |
| Complexity | 267.11685 |
Chemical Identifiers
| CAS Number | 13567-16-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)/C=C/[O-].[Na+] |
Product Overview
Sodium 3-oxo-3-phenylprop-1-en-1-olate (CAS 13567-16-3), with molecular formula C9H7NaO2 and molecular weight 170.03 g/mol. IUPAC: sodium (E)-3-oxo-3-phenylprop-1-en-1-olate.
Chemical Property Profile of Sodium 3-oxo-3-phenylprop-1-en-1-olate
Property Insights of Sodium 3-oxo-3-phenylprop-1-en-1-olate
The XLogP value of -2.2527 indicates that Sodium 3-oxo-3-phenylprop-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 3-oxo-3-phenylprop-1-en-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium 3-oxo-3-phenylprop-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 3-oxo-3-phenylprop-1-en-1-olate?
The CAS number of Sodium 3-oxo-3-phenylprop-1-en-1-olate is 13567-16-3.
What is the molecular formula of Sodium 3-oxo-3-phenylprop-1-en-1-olate?
The molecular formula of Sodium 3-oxo-3-phenylprop-1-en-1-olate is C9H7NaO2.
What is the molecular weight of Sodium 3-oxo-3-phenylprop-1-en-1-olate?
The molecular weight of Sodium 3-oxo-3-phenylprop-1-en-1-olate is 170.03 g/mol.
Where can I buy Sodium 3-oxo-3-phenylprop-1-en-1-olate?
You can request a quote for Sodium 3-oxo-3-phenylprop-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 3-oxo-3-phenylprop-1-en-1-olate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 3-oxo-3-phenylprop-1-en-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.