Calciumoctoat
TL;DR: Calciumoctoat (CAS 1296806-84-2) is a chemical compound with molecular formula C16H30CaO4 and molecular weight 326.177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium bis(2-ethylhexanoate)
Also Known As: calciumoctoat, Calcium 2-ethylhexanoate, Bis(2-ethylhexanoyloxy)calcium, Calcium 2-ethylhexanoate, 98%, CALCIUM BIS(2-ETHYLHEXANOATE)
Technical Specifications
| Molecular Formula | C16H30CaO4 |
| Molecular Weight | 326.177 g/mol |
| XLogP | 1.5246 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.177 Da |
| Heavy Atoms | 21 |
| Complexity | 93.0 |
| SMILES | CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2] |
| InChIKey | LTPCXXMGKDQPAO-UHFFFAOYSA-L |
Chemical Property Profile of Calciumoctoat
Property Insights of Calciumoctoat
The XLogP value of 1.5246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calciumoctoat. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Calciumoctoat. Following Lipinski's Rule of Five, Calciumoctoat 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
What is the CAS number of Calciumoctoat?
The CAS number of Calciumoctoat is 1296806-84-2.
What is the molecular formula of Calciumoctoat?
The molecular formula of Calciumoctoat is C16H30CaO4.
What is the molecular weight of Calciumoctoat?
The molecular weight of Calciumoctoat is 326.177 g/mol.
Where can I buy Calciumoctoat?
You can request a quote for Calciumoctoat directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calciumoctoat?
Yes, CoreyChem provides custom synthesis services for Calciumoctoat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.