柠檬酸苹果酸钙
TL;DR: 柠檬酸苹果酸钙 (CAS 142606-53-9) is a chemical compound with molecular formula C16H14Ca4O19 and molecular weight 669.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柠檬酸苹果酸钙
tetracalcium;2-hydroxybutanedioate;bis(2-hydroxypropane-1,2,3-tricarboxylate)
Also Known As: Calcium citrate malate, tetracalcium;2-hydroxybutanedioate;2-hydroxypropane-1,2,3-tricarboxylate, 2-Hydroxy-1,2,3-propanetricarboxylic acid calcium salt, mixt. with hydroxybutanedioic acid calcium salt, tetracalcium; 2-hydroxybutanedioate; 2-hydroxypropane-1,2,3-tricarboxylate, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt, mixt. with hydroxybutanedioic acid calcium salt
| Molecular Formula | C16H14Ca4O19 |
|---|---|
| Molecular Weight | 669.86 g/mol |
| LogP | -15.7912 |
| Topological Polar Surface Area | 382.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 5 |
| Exact Mass | 669.8633 |
| Heavy Atoms | 39 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 142606-53-9 |
|---|---|
| SMILES | C(C(C(=O)[O-])O)C(=O)[O-].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].[Ca+2] |
| InChIKey | YQUQVRHWPYWQRG-UHFFFAOYSA-F |
Product Overview
柠檬酸苹果酸钙 (CAS 142606-53-9), with molecular formula C16H14Ca4O19 and molecular weight 669.86 g/mol. IUPAC: tetracalcium;2-hydroxybutanedioate;bis(2-hydroxypropane-1,2,3-tricarboxylate).
Chemical Property Profile of 柠檬酸苹果酸钙
Property Insights of 柠檬酸苹果酸钙
The XLogP value of -15.7912 indicates that 柠檬酸苹果酸钙 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 382.0 Ų indicates high polarity, suggesting 柠檬酸苹果酸钙 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 柠檬酸苹果酸钙 has 3 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 柠檬酸苹果酸钙?
The CAS number of 柠檬酸苹果酸钙 is 142606-53-9.
What is the molecular formula of 柠檬酸苹果酸钙?
The molecular formula of 柠檬酸苹果酸钙 is C16H14Ca4O19.
What is the molecular weight of 柠檬酸苹果酸钙?
The molecular weight of 柠檬酸苹果酸钙 is 669.86 g/mol.
Where can I buy 柠檬酸苹果酸钙?
You can request a quote for 柠檬酸苹果酸钙 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柠檬酸苹果酸钙?
Yes, KEHONG BIO provides custom synthesis services for 柠檬酸苹果酸钙 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.