Disodium 2-phenylpropanedioate
TL;DR: Disodium 2-phenylpropanedioate (CAS 55277-85-5) is a chemical compound with molecular formula C9H6Na2O4 and molecular weight 224.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-phenylpropanedioate
Also Known As: Disodium phenylmalonate, Disodium 2-phenylpropanedioate, Phenylmalonic Acid Disodium Salt, disodium;2-phenylpropanedioate, disodium,2-phenylpropanedioate
| Molecular Formula | C9H6Na2O4 |
|---|---|
| Molecular Weight | 224.01 g/mol |
| LogP | -7.722 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.00615 |
| Heavy Atoms | 15 |
| Complexity | 312.14404 |
Chemical Identifiers
| CAS Number | 55277-85-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)[O-])C(=O)[O-].[Na+].[Na+] |
Product Overview
Disodium 2-phenylpropanedioate (CAS 55277-85-5), with molecular formula C9H6Na2O4 and molecular weight 224.01 g/mol. IUPAC: disodium;2-phenylpropanedioate.
Chemical Property Profile of Disodium 2-phenylpropanedioate
Property Insights of Disodium 2-phenylpropanedioate
The XLogP value of -7.722 indicates that Disodium 2-phenylpropanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Disodium 2-phenylpropanedioate. Following Lipinski's Rule of Five, Disodium 2-phenylpropanedioate has 0 hydrogen bond donor(s) and 4 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 Disodium 2-phenylpropanedioate?
The CAS number of Disodium 2-phenylpropanedioate is 55277-85-5.
What is the molecular formula of Disodium 2-phenylpropanedioate?
The molecular formula of Disodium 2-phenylpropanedioate is C9H6Na2O4.
What is the molecular weight of Disodium 2-phenylpropanedioate?
The molecular weight of Disodium 2-phenylpropanedioate is 224.01 g/mol.
Where can I buy Disodium 2-phenylpropanedioate?
You can request a quote for Disodium 2-phenylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium 2-phenylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Disodium 2-phenylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.