Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)
TL;DR: Octadecanoic acid, 12-hydroxy-, calcium salt (2:1) (CAS 3159-62-4) is a chemical compound with molecular formula C36H70CaO6 and molecular weight 638.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(12-hydroxyoctadecanoate)
Also Known As: calcium 12-hydroxyoctadecanoate, calcium hydroxystearate, calcium 12-hydroxystearate, Calcium(2+) 12-hydroxyoctadecanoate, Calcium bis(12-hydroxystearate)
| Molecular Formula | C36H70CaO6 |
|---|---|
| Molecular Weight | 638.48 g/mol |
| LogP | 7.56 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 30 |
| Exact Mass | 638.47986 |
| Heavy Atoms | 43 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 3159-62-4 |
|---|---|
| SMILES | CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.[Ca+2] |
| InChIKey | RXPKHKBYUIHIGL-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecanoic acid, 12-hydroxy-, calcium salt (2:1) (CAS 3159-62-4), with molecular formula C36H70CaO6 and molecular weight 638.48 g/mol. IUPAC: calcium bis(12-hydroxyoctadecanoate).
Chemical Property Profile of Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)
Property Insights of Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)
The XLogP value of 7.56 indicates that Octadecanoic acid, 12-hydroxy-, calcium salt (2:1) 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 Octadecanoic acid, 12-hydroxy-, calcium salt (2:1). Following Lipinski's Rule of Five, Octadecanoic acid, 12-hydroxy-, calcium salt (2:1) 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 Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)?
The CAS number of Octadecanoic acid, 12-hydroxy-, calcium salt (2:1) is 3159-62-4.
What is the molecular formula of Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)?
The molecular formula of Octadecanoic acid, 12-hydroxy-, calcium salt (2:1) is C36H70CaO6.
What is the molecular weight of Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)?
The molecular weight of Octadecanoic acid, 12-hydroxy-, calcium salt (2:1) is 638.48 g/mol.
Where can I buy Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)?
You can request a quote for Octadecanoic acid, 12-hydroxy-, calcium salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid, 12-hydroxy-, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 12-hydroxy-, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.