Calcium 2-ethylhexoate
TL;DR: Calcium 2-ethylhexoate (CAS 136-51-6) 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(2-ethylhexanoate)
Also Known As: Calcium 2-ethylhexanoate, Octope Ca, Calcium Hex-Cem, Calcium 2-ethylhexoate, Nikka Octhix Calcium
| Molecular Formula | C16H30CaO4 |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | 1.52 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.177 |
| Heavy Atoms | 21 |
| Complexity | 93.0 |
| Vapor Pressure | 0.00000086 [mmHg] |
Chemical Identifiers
| CAS Number | 136-51-6 |
|---|---|
| SMILES | CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2] |
| InChIKey | LTPCXXMGKDQPAO-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium 2-ethylhexoate (CAS 136-51-6), with molecular formula C16H30CaO4 and molecular weight 326.18 g/mol. IUPAC: calcium bis(2-ethylhexanoate).
Chemical Property Profile of Calcium 2-ethylhexoate
Property Insights of Calcium 2-ethylhexoate
The XLogP value of 1.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium 2-ethylhexoate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium 2-ethylhexoate. Following Lipinski's Rule of Five, Calcium 2-ethylhexoate 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 2-ethylhexoate?
The CAS number of Calcium 2-ethylhexoate is 136-51-6.
What is the molecular formula of Calcium 2-ethylhexoate?
The molecular formula of Calcium 2-ethylhexoate is C16H30CaO4.
What is the molecular weight of Calcium 2-ethylhexoate?
The molecular weight of Calcium 2-ethylhexoate is 326.18 g/mol.
Where can I buy Calcium 2-ethylhexoate?
You can request a quote for Calcium 2-ethylhexoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium 2-ethylhexoate?
Yes, KEHONG BIO provides custom synthesis services for Calcium 2-ethylhexoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.