Calcium Undecylenate
TL;DR: Calcium Undecylenate (CAS 1322-14-1) is a chemical compound with molecular formula C22H38CaO4 and molecular weight 406.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(undec-10-enoate)
Also Known As: Calcium undecylenate, Cruex, Calcium diundec-10-enoate, Cal-Desene, Undecylenate calcium
| Molecular Formula | C22H38CaO4 |
|---|---|
| Molecular Weight | 406.24 g/mol |
| LogP | 3.71 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 406.2396 |
| Heavy Atoms | 27 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 1322-14-1 |
|---|---|
| SMILES | C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Ca+2] |
| InChIKey | CLOKKBBIKHZGNX-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium Undecylenate (CAS 1322-14-1), with molecular formula C22H38CaO4 and molecular weight 406.24 g/mol. IUPAC: calcium bis(undec-10-enoate).
Chemical Property Profile of Calcium Undecylenate
Property Insights of Calcium Undecylenate
The XLogP value of 3.71 indicates that Calcium Undecylenate 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 Undecylenate. Following Lipinski's Rule of Five, Calcium Undecylenate 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 Undecylenate?
The CAS number of Calcium Undecylenate is 1322-14-1.
What is the molecular formula of Calcium Undecylenate?
The molecular formula of Calcium Undecylenate is C22H38CaO4.
What is the molecular weight of Calcium Undecylenate?
The molecular weight of Calcium Undecylenate is 406.24 g/mol.
Where can I buy Calcium Undecylenate?
You can request a quote for Calcium Undecylenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium Undecylenate?
Yes, KEHONG BIO provides custom synthesis services for Calcium Undecylenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.