Sodium 2-isopropoxyacetate
TL;DR: Sodium 2-isopropoxyacetate (CAS 116277-76-0) is a chemical compound with molecular formula C5H9NaO3 and molecular weight 140.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-propan-2-yloxyacetate
Also Known As: Sodium 2-isopropoxyacetate, Sodium2-isopropoxyacetate, Isopropoxyacetic acid, sodium salt, sodium 2-propan-2-yloxyacetate, sodium;2-propan-2-yloxyacetate
| Molecular Formula | C5H9NaO3 |
|---|---|
| Molecular Weight | 140.04 g/mol |
| LogP | -3.8347 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.04494 |
| Heavy Atoms | 9 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 116277-76-0 |
|---|---|
| SMILES | CC(C)OCC(=O)[O-].[Na+] |
| InChIKey | JNXVHSVZZGWFIA-UHFFFAOYSA-M |
Product Overview
Sodium 2-isopropoxyacetate (CAS 116277-76-0), with molecular formula C5H9NaO3 and molecular weight 140.04 g/mol. IUPAC: sodium 2-propan-2-yloxyacetate.
Chemical Property Profile of Sodium 2-isopropoxyacetate
Property Insights of Sodium 2-isopropoxyacetate
The XLogP value of -3.8347 indicates that Sodium 2-isopropoxyacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.4 Ų, Sodium 2-isopropoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium 2-isopropoxyacetate has 0 hydrogen bond donor(s) and 3 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 2-isopropoxyacetate?
The CAS number of Sodium 2-isopropoxyacetate is 116277-76-0.
What is the molecular formula of Sodium 2-isopropoxyacetate?
The molecular formula of Sodium 2-isopropoxyacetate is C5H9NaO3.
What is the molecular weight of Sodium 2-isopropoxyacetate?
The molecular weight of Sodium 2-isopropoxyacetate is 140.04 g/mol.
Where can I buy Sodium 2-isopropoxyacetate?
You can request a quote for Sodium 2-isopropoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 2-isopropoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 2-isopropoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.