Calcium;2-(carboxymethyl)-2-hydroxybutanedioate
TL;DR: Calcium;2-(carboxymethyl)-2-hydroxybutanedioate (CAS 1185-56-4) is a chemical compound with molecular formula C6H6CaO7 and molecular weight 229.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-(carboxymethyl)-2-hydroxybutanedioate
Also Known As: Calcium citrate, calcium monocitrate, Citric acid, calcium salt, calcium 2-(carboxymethyl)-2-hydroxybutanedioate, Hydrazinium,1,1,1-triethyl-,chloride
| Molecular Formula | C6H6CaO7 |
|---|---|
| Molecular Weight | 229.97 g/mol |
| LogP | -4.2987 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.97394 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 1185-56-4 |
|---|---|
| SMILES | C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.[Ca+2] |
| InChIKey | PFKGDYCESFRMAP-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium;2-(carboxymethyl)-2-hydroxybutanedioate (CAS 1185-56-4), with molecular formula C6H6CaO7 and molecular weight 229.97 g/mol. IUPAC: calcium 2-(carboxymethyl)-2-hydroxybutanedioate.
Chemical Property Profile of Calcium;2-(carboxymethyl)-2-hydroxybutanedioate
Property Insights of Calcium;2-(carboxymethyl)-2-hydroxybutanedioate
The XLogP value of -4.2987 indicates that Calcium;2-(carboxymethyl)-2-hydroxybutanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium;2-(carboxymethyl)-2-hydroxybutanedioate. Following Lipinski's Rule of Five, Calcium;2-(carboxymethyl)-2-hydroxybutanedioate has 2 hydrogen bond donor(s) and 7 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;2-(carboxymethyl)-2-hydroxybutanedioate?
The CAS number of Calcium;2-(carboxymethyl)-2-hydroxybutanedioate is 1185-56-4.
What is the molecular formula of Calcium;2-(carboxymethyl)-2-hydroxybutanedioate?
The molecular formula of Calcium;2-(carboxymethyl)-2-hydroxybutanedioate is C6H6CaO7.
What is the molecular weight of Calcium;2-(carboxymethyl)-2-hydroxybutanedioate?
The molecular weight of Calcium;2-(carboxymethyl)-2-hydroxybutanedioate is 229.97 g/mol.
Where can I buy Calcium;2-(carboxymethyl)-2-hydroxybutanedioate?
You can request a quote for Calcium;2-(carboxymethyl)-2-hydroxybutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium;2-(carboxymethyl)-2-hydroxybutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Calcium;2-(carboxymethyl)-2-hydroxybutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.