Calcium Mandelate
TL;DR: Calcium Mandelate (CAS 134-95-2) is a chemical compound with molecular formula C16H14CaO6 and molecular weight 342.04163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium bis(2-hydroxy-2-phenylacetate)
Also Known As: CALCIUM MANDELATE, Calcium dimandelate, Mandelate calcium, Calcium mandelate [USP], Dimandelic acid calcium
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H14CaO6 |
| Molecular Weight | 342.04163 g/mol |
| XLogP | -1.44 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.04163 Da |
| Heavy Atoms | 23 |
| Complexity | 133.0 |
| SMILES | C1=CC=C(C=C1)C(C(=O)[O-])O.C1=CC=C(C=C1)C(C(=O)[O-])O.[Ca+2] |
| InChIKey | GCXSYHGQGJCRRW-UHFFFAOYSA-L |
Product Description
Applications: Calcium Mandelate is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Calcium Mandelate (CAS 134-95-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Calcium Mandelate is a pharmaceutical intermediate identified by CAS number 134-95-2 and the molecular formula C16H14CaO6 and a molecular weight of 342.04 g/mol. It is also known as CALCIUM MANDELATE and Calcium dimandelate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Calcium Mandelate
Property Insights of Calcium Mandelate
The XLogP value of -1.44 indicates that Calcium Mandelate 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 Calcium Mandelate. Following Lipinski's Rule of Five, Calcium Mandelate 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
What is the CAS number of Calcium Mandelate?
The CAS number of Calcium Mandelate is 134-95-2.
What is the molecular formula of Calcium Mandelate?
The molecular formula of Calcium Mandelate is C16H14CaO6.
What is the molecular weight of Calcium Mandelate?
The molecular weight of Calcium Mandelate is 342.04163 g/mol.
What are the applications of Calcium Mandelate?
Calcium Mandelate is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Calcium Mandelate (CAS 134-95-2) with...
Where can I buy Calcium Mandelate?
You can request a quote for Calcium Mandelate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calcium Mandelate?
Yes, CoreyChem provides custom synthesis services for Calcium Mandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.