乙酸钙
TL;DR: 乙酸钙 (CAS 62-54-4) is a chemical compound with molecular formula C4H6CaO4 and molecular weight 157.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸钙
calcium diacetate
Also Known As: Calcium acetate, Calcium diacetate, Lime acetate, PhosLo, Lime pyrolignite
| Molecular Formula | C4H6CaO4 |
|---|---|
| Molecular Weight | 157.99 g/mol |
| LogP | -2.87 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.9892 |
| Heavy Atoms | 9 |
| Complexity | 25.0 |
| Melting Point | > 160 °C |
| Density | 1.50 kg/l |
| Solubility | 37.4 G IN 100 CC OF WATER @ 0 °C; 29.7 G IN 100 CC OF WATER @ 100 °C; SLIGHTLY SOL IN ALCOHOL |
| Refractive Index | 1.55 |
Chemical Identifiers
| CAS Number | 62-54-4 |
|---|---|
| SMILES | CC(=O)[O-].CC(=O)[O-].[Ca+2] |
| InChIKey | VSGNNIFQASZAOI-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸钙 (CAS 62-54-4), with molecular formula C4H6CaO4 and molecular weight 157.99 g/mol. IUPAC: calcium diacetate.
Chemical Property Profile of 乙酸钙
Property Insights of 乙酸钙
The XLogP value of -2.87 indicates that 乙酸钙 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙酸钙. Following Lipinski's Rule of Five, 乙酸钙 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 乙酸钙?
The CAS number of 乙酸钙 is 62-54-4.
What is the molecular formula of 乙酸钙?
The molecular formula of 乙酸钙 is C4H6CaO4.
What is the molecular weight of 乙酸钙?
The molecular weight of 乙酸钙 is 157.99 g/mol.
Where can I buy 乙酸钙?
You can request a quote for 乙酸钙 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸钙?
Yes, KEHONG BIO provides custom synthesis services for 乙酸钙 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.