Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)
TL;DR: Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate) (CAS 5793-87-3) is a chemical compound with molecular formula C14H22CaO12 and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(1,3,4,5-tetrahydroxycyclohexane-1-carboxylate)
Also Known As: calciumbis, C7H12O6.1/2Ca, C7-H12-O6.1/2Ca, Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate), calcium 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
| Molecular Formula | C14H22CaO12 |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | -7.69 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 0 |
| Exact Mass | 422.07373 |
| Heavy Atoms | 27 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 5793-87-3 |
|---|---|
| SMILES | C1C(C(C(CC1(C(=O)[O-])O)O)O)O.C1C(C(C(CC1(C(=O)[O-])O)O)O)O.[Ca+2] |
| InChIKey | LUULGDQBMOTIRA-UHFFFAOYSA-L |
Product Overview
Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate) (CAS 5793-87-3), with molecular formula C14H22CaO12 and molecular weight 422.07 g/mol. IUPAC: calcium bis(1,3,4,5-tetrahydroxycyclohexane-1-carboxylate).
Chemical Property Profile of Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)
Property Insights of Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)
The XLogP value of -7.69 indicates that Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate) has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)?
The CAS number of Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate) is 5793-87-3.
What is the molecular formula of Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)?
The molecular formula of Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate) is C14H22CaO12.
What is the molecular weight of Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)?
The molecular weight of Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate) is 422.07 g/mol.
Where can I buy Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)?
You can request a quote for Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate)?
Yes, KEHONG BIO provides custom synthesis services for Calcium bis(1,3,4,5-tetrahydroxycyclohexanecarboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.