Sodium;3-phenylprop-2-enoate
TL;DR: Sodium;3-phenylprop-2-enoate (CAS 538-42-1) 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 3-phenylprop-2-enoate
Also Known As: Sodium cinnamate, sodium;3-phenylprop-2-enoate, Cinnamic acid sodium salt, sodium 3-phenylprop-2-enoate, CINNAMIC ACID, SODIUM SALT
| Molecular Formula | C9H7NaO2 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | -2.5463 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.03438 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 538-42-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)[O-].[Na+] |
| InChIKey | DXIHILNWDOYYCH-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium;3-phenylprop-2-enoate (CAS 538-42-1), with molecular formula C9H7NaO2 and molecular weight 170.03 g/mol. IUPAC: sodium 3-phenylprop-2-enoate.
Chemical Property Profile of Sodium;3-phenylprop-2-enoate
Property Insights of Sodium;3-phenylprop-2-enoate
The XLogP value of -2.5463 indicates that Sodium;3-phenylprop-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.1 Ų, Sodium;3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium;3-phenylprop-2-enoate 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-phenylprop-2-enoate?
The CAS number of Sodium;3-phenylprop-2-enoate is 538-42-1.
What is the molecular formula of Sodium;3-phenylprop-2-enoate?
The molecular formula of Sodium;3-phenylprop-2-enoate is C9H7NaO2.
What is the molecular weight of Sodium;3-phenylprop-2-enoate?
The molecular weight of Sodium;3-phenylprop-2-enoate is 170.03 g/mol.
Where can I buy Sodium;3-phenylprop-2-enoate?
You can request a quote for Sodium;3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium;3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Sodium;3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.