乙醇酸钙
TL;DR: 乙醇酸钙 (CAS 996-23-6) is a chemical compound with molecular formula C4H6CaO6 and molecular weight 189.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙醇酸钙
calcium bis(2-hydroxyacetate)
Also Known As: Calcium glycolate, Glycolic Acid Calcium Salt, calcium 2-hydroxyacetate, Calcium bis(hydroxyacetate), calcium;2-hydroxyacetate
| Molecular Formula | C4H6CaO6 |
|---|---|
| Molecular Weight | 189.98 g/mol |
| LogP | -4.92 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.97903 |
| Heavy Atoms | 11 |
| Complexity | 34.0 |
Chemical Identifiers
| CAS Number | 996-23-6 |
|---|---|
| SMILES | C(C(=O)[O-])O.C(C(=O)[O-])O.[Ca+2] |
| InChIKey | CHRHZFQUDFAQEQ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙醇酸钙 (CAS 996-23-6), with molecular formula C4H6CaO6 and molecular weight 189.98 g/mol. IUPAC: calcium bis(2-hydroxyacetate).
Chemical Property Profile of 乙醇酸钙
Property Insights of 乙醇酸钙
The XLogP value of -4.92 indicates that 乙醇酸钙 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙醇酸钙. Following Lipinski's Rule of Five, 乙醇酸钙 has 2 hydrogen bond donor(s) and 6 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 乙醇酸钙?
The CAS number of 乙醇酸钙 is 996-23-6.
What is the molecular formula of 乙醇酸钙?
The molecular formula of 乙醇酸钙 is C4H6CaO6.
What is the molecular weight of 乙醇酸钙?
The molecular weight of 乙醇酸钙 is 189.98 g/mol.
Where can I buy 乙醇酸钙?
You can request a quote for 乙醇酸钙 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙醇酸钙?
Yes, KEHONG BIO provides custom synthesis services for 乙醇酸钙 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.