Calcium Behenate
TL;DR: Calcium Behenate (CAS 36938-50-8) is a chemical compound with molecular formula C44H86CaO4 and molecular weight 718.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium docosanoate
Also Known As: Calcium behenate, Calcium docosanoate, Calcium didocosanoate, Docosanoic acid, calcium salt, calcium;docosanoate
| Molecular Formula | C44H86CaO4 |
|---|---|
| Molecular Weight | 718.62 g/mol |
| LogP | 12.7356 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 38 |
| Exact Mass | 718.6152 |
| Heavy Atoms | 49 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 36938-50-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2] |
| InChIKey | SMBKCSPGKDEPFO-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium Behenate (CAS 36938-50-8), with molecular formula C44H86CaO4 and molecular weight 718.62 g/mol. IUPAC: calcium docosanoate.
Chemical Property Profile of Calcium Behenate
Property Insights of Calcium Behenate
The XLogP value of 12.7356 indicates that Calcium Behenate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium Behenate. Following Lipinski's Rule of Five, Calcium Behenate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium Behenate?
The CAS number of Calcium Behenate is 36938-50-8.
What is the molecular formula of Calcium Behenate?
The molecular formula of Calcium Behenate is C44H86CaO4.
What is the molecular weight of Calcium Behenate?
The molecular weight of Calcium Behenate is 718.62 g/mol.
Where can I buy Calcium Behenate?
You can request a quote for Calcium Behenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium Behenate?
Yes, KEHONG BIO provides custom synthesis services for Calcium Behenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.