Calcium elenolate
TL;DR: Calcium elenolate (CAS 46971-49-7) is a chemical compound with molecular formula C22H26CaO12 and molecular weight 522.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-(3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl)acetate)
Also Known As: Calcium elenolate, Elenolate calcium, calcium2- acetate, C11H14O6.1/2Ca, C11-H14-O6.1/2Ca
| Molecular Formula | C22H26CaO12 |
|---|---|
| Molecular Weight | 522.11 g/mol |
| LogP | -2.3142 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.10504 |
| Heavy Atoms | 35 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 46971-49-7 |
|---|---|
| SMILES | CC1C(C(C(=CO1)C(=O)OC)CC(=O)[O-])C=O.CC1C(C(C(=CO1)C(=O)OC)CC(=O)[O-])C=O.[Ca+2] |
| InChIKey | LXHSHPBNTMXMPF-UHFFFAOYSA-L |
Product Overview
Calcium elenolate (CAS 46971-49-7), with molecular formula C22H26CaO12 and molecular weight 522.11 g/mol. IUPAC: calcium bis(2-(3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl)acetate).
Chemical Property Profile of Calcium elenolate
Property Insights of Calcium elenolate
The XLogP value of -2.3142 indicates that Calcium elenolate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting Calcium elenolate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium elenolate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium elenolate?
The CAS number of Calcium elenolate is 46971-49-7.
What is the molecular formula of Calcium elenolate?
The molecular formula of Calcium elenolate is C22H26CaO12.
What is the molecular weight of Calcium elenolate?
The molecular weight of Calcium elenolate is 522.11 g/mol.
Where can I buy Calcium elenolate?
You can request a quote for Calcium elenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium elenolate?
Yes, KEHONG BIO provides custom synthesis services for Calcium elenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.