Calcium octanoate
TL;DR: Calcium octanoate (CAS 6107-56-8) is a chemical compound with molecular formula C16H30CaO4 and molecular weight 326.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(octanoate)
Also Known As: CALCIUM OCTANOATE, calcium caprylate, Cadmium octoate, Cadmium caprylate, Mixture
| Molecular Formula | C16H30CaO4 |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | 1.81 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 326.177 |
| Heavy Atoms | 21 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 6107-56-8 |
|---|---|
| SMILES | CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ca+2] |
| InChIKey | NDWWLJQHOLSEHX-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium octanoate (CAS 6107-56-8), with molecular formula C16H30CaO4 and molecular weight 326.18 g/mol. IUPAC: calcium bis(octanoate).
Chemical Property Profile of Calcium octanoate
Property Insights of Calcium octanoate
The XLogP value of 1.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium octanoate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium octanoate. Following Lipinski's Rule of Five, Calcium octanoate has 0 hydrogen bond donor(s) and 4 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 octanoate?
The CAS number of Calcium octanoate is 6107-56-8.
What is the molecular formula of Calcium octanoate?
The molecular formula of Calcium octanoate is C16H30CaO4.
What is the molecular weight of Calcium octanoate?
The molecular weight of Calcium octanoate is 326.18 g/mol.
Where can I buy Calcium octanoate?
You can request a quote for Calcium octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium octanoate?
Yes, KEHONG BIO provides custom synthesis services for Calcium octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.