Calcium;12-hydroxyoctadecanoate;acetate
TL;DR: Calcium;12-hydroxyoctadecanoate;acetate (CAS 67969-78-2) is a chemical compound with molecular formula C20H38CaO5 and molecular weight 398.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;12-hydroxyoctadecanoate;acetate
Also Known As: Acetato-O)(12-hydroxyoctadecanoato-O1)calcium, (Acetato-O)(12-hydroxyoctadecanoato-O1)calcium, Calcium, (acetato-kappaO)(12-hydroxyoctadecanoato-kappaO)-, Calcium, (acetato-O)(12-hydroxyoctadecanoato-O1)-, Calcium, (acetato-.kappa.O)(12-hydroxyoctadecanoato-.kappa.O)-
| Molecular Formula | C20H38CaO5 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 2.34 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 398.23453 |
| Heavy Atoms | 26 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 67969-78-2 |
|---|---|
| SMILES | CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CC(=O)[O-].[Ca+2] |
| InChIKey | AWLWJRVPELFWIO-UHFFFAOYSA-L |
Product Overview
Calcium;12-hydroxyoctadecanoate;acetate (CAS 67969-78-2), with molecular formula C20H38CaO5 and molecular weight 398.23 g/mol. IUPAC: calcium;12-hydroxyoctadecanoate;acetate.
Chemical Property Profile of Calcium;12-hydroxyoctadecanoate;acetate
Property Insights of Calcium;12-hydroxyoctadecanoate;acetate
The XLogP value of 2.34 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium;12-hydroxyoctadecanoate;acetate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium;12-hydroxyoctadecanoate;acetate. Following Lipinski's Rule of Five, Calcium;12-hydroxyoctadecanoate;acetate has 1 hydrogen bond donor(s) and 5 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;12-hydroxyoctadecanoate;acetate?
The CAS number of Calcium;12-hydroxyoctadecanoate;acetate is 67969-78-2.
What is the molecular formula of Calcium;12-hydroxyoctadecanoate;acetate?
The molecular formula of Calcium;12-hydroxyoctadecanoate;acetate is C20H38CaO5.
What is the molecular weight of Calcium;12-hydroxyoctadecanoate;acetate?
The molecular weight of Calcium;12-hydroxyoctadecanoate;acetate is 398.23 g/mol.
Where can I buy Calcium;12-hydroxyoctadecanoate;acetate?
You can request a quote for Calcium;12-hydroxyoctadecanoate;acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium;12-hydroxyoctadecanoate;acetate?
Yes, KEHONG BIO provides custom synthesis services for Calcium;12-hydroxyoctadecanoate;acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.