Calcium Mandelate
TL;DR: Calcium Mandelate (CAS 134-95-2) is a chemical compound with molecular formula C16H14CaO6 and molecular weight 342.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-hydroxy-2-phenylacetate)
Also Known As: CALCIUM MANDELATE, Calcium dimandelate, Mandelate calcium, Calcium mandelate [USP], Dimandelic acid calcium
| Molecular Formula | C16H14CaO6 |
|---|---|
| Molecular Weight | 342.04 g/mol |
| LogP | -1.44 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.04163 |
| Heavy Atoms | 23 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 134-95-2 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium Mandelate (CAS 134-95-2), with molecular formula C16H14CaO6 and molecular weight 342.04 g/mol. IUPAC: calcium bis(2-hydroxy-2-phenylacetate).
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
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 342.04 g/mol.
Where can I buy Calcium Mandelate?
You can request a quote for Calcium Mandelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium Mandelate?
Yes, KEHONG BIO provides custom synthesis services for Calcium Mandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.