柠檬酸钙
TL;DR: 柠檬酸钙 (CAS 813-94-5) is a chemical compound with molecular formula C12H10Ca3O14 and molecular weight 497.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柠檬酸钙
tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate)
Also Known As: Calcium citrate, Acicontral, Tricalcium dicitrate, Calcitrate, Citracal
| Molecular Formula | C12H10Ca3O14 |
|---|---|
| Molecular Weight | 497.89 g/mol |
| LogP | -11.65 |
| Topological Polar Surface Area | 281.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 497.89484 |
| Heavy Atoms | 29 |
| Complexity | 211.0 |
| Solubility | White powder, odorless. Insol in alcohol. Loses most of its water @ 100 °C and all @ 120 °C /Tetrahydrate/ |
Chemical Identifiers
| CAS Number | 813-94-5 |
|---|---|
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ca+2].[Ca+2].[Ca+2] |
| InChIKey | FNAQSUUGMSOBHW-UHFFFAOYSA-H |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
柠檬酸钙 (CAS 813-94-5), with molecular formula C12H10Ca3O14 and molecular weight 497.89 g/mol. IUPAC: tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylate).
Chemical Property Profile of 柠檬酸钙
Property Insights of 柠檬酸钙
The XLogP value of -11.65 indicates that 柠檬酸钙 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 281.0 Ų indicates high polarity, suggesting 柠檬酸钙 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 柠檬酸钙 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 柠檬酸钙?
The CAS number of 柠檬酸钙 is 813-94-5.
What is the molecular formula of 柠檬酸钙?
The molecular formula of 柠檬酸钙 is C12H10Ca3O14.
What is the molecular weight of 柠檬酸钙?
The molecular weight of 柠檬酸钙 is 497.89 g/mol.
Where can I buy 柠檬酸钙?
You can request a quote for 柠檬酸钙 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柠檬酸钙?
Yes, KEHONG BIO provides custom synthesis services for 柠檬酸钙 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.