calcium bis((12R)-12-hydroxyoctadec-9-enoate)
TL;DR: calcium bis((12R)-12-hydroxyoctadec-9-enoate) (CAS 6865-33-4) is a chemical compound with molecular formula C36H66CaO6 and molecular weight 634.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis((12R)-12-hydroxyoctadec-9-enoate)
Also Known As: Calcium diricinoleate, C18H34O3.1/2Ca, C18-H34-O3.1/2Ca, Ricinoleic acid, calcium salt (2:1), AI3-19722
| Molecular Formula | C36H66CaO6 |
|---|---|
| Molecular Weight | 634.45 g/mol |
| LogP | 7.11 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 28 |
| Exact Mass | 634.44855 |
| Heavy Atoms | 43 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 6865-33-4 |
|---|---|
| SMILES | CCCCCC[C@H](CC=CCCCCCCCC(=O)[O-])O.CCCCCC[C@H](CC=CCCCCCCCC(=O)[O-])O.[Ca+2] |
| InChIKey | PIBVKAIHEACFIN-NCTGSHGJSA-L |
Product Overview
calcium bis((12R)-12-hydroxyoctadec-9-enoate) (CAS 6865-33-4), with molecular formula C36H66CaO6 and molecular weight 634.45 g/mol. IUPAC: calcium bis((12R)-12-hydroxyoctadec-9-enoate).
Chemical Property Profile of calcium bis((12R)-12-hydroxyoctadec-9-enoate)
Property Insights of calcium bis((12R)-12-hydroxyoctadec-9-enoate)
The XLogP value of 7.11 indicates that calcium bis((12R)-12-hydroxyoctadec-9-enoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for calcium bis((12R)-12-hydroxyoctadec-9-enoate). Following Lipinski's Rule of Five, calcium bis((12R)-12-hydroxyoctadec-9-enoate) has 2 hydrogen bond donor(s) and 6 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((12R)-12-hydroxyoctadec-9-enoate)?
The CAS number of calcium bis((12R)-12-hydroxyoctadec-9-enoate) is 6865-33-4.
What is the molecular formula of calcium bis((12R)-12-hydroxyoctadec-9-enoate)?
The molecular formula of calcium bis((12R)-12-hydroxyoctadec-9-enoate) is C36H66CaO6.
What is the molecular weight of calcium bis((12R)-12-hydroxyoctadec-9-enoate)?
The molecular weight of calcium bis((12R)-12-hydroxyoctadec-9-enoate) is 634.45 g/mol.
Where can I buy calcium bis((12R)-12-hydroxyoctadec-9-enoate)?
You can request a quote for calcium bis((12R)-12-hydroxyoctadec-9-enoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for calcium bis((12R)-12-hydroxyoctadec-9-enoate)?
Yes, KEHONG BIO provides custom synthesis services for calcium bis((12R)-12-hydroxyoctadec-9-enoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.