Calcium Diiodostearate
TL;DR: Calcium Diiodostearate (CAS 74988-01-5) is a chemical compound with molecular formula C36H66CaI4O4 and molecular weight 1110.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(9,12-diiodooctadecanoate)
Also Known As: calcium diiodostearate, DIIODOSTEARATE CALCIUM, Calcium diiodostearate [JAN], (+/-)-Calcium diiodostearate, Calcium diiodostearate (JAN)
| Molecular Formula | C36H66CaI4O4 |
|---|---|
| Molecular Weight | 1110.08 g/mol |
| LogP | 11.2688 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 30 |
| Exact Mass | 1110.0767 |
| Heavy Atoms | 45 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 74988-01-5 |
|---|---|
| SMILES | CCCCCCC(CCC(CCCCCCCC(=O)[O-])I)I.CCCCCCC(CCC(CCCCCCCC(=O)[O-])I)I.[Ca+2] |
| InChIKey | KMDFGURWVNEJQG-UHFFFAOYSA-L |
Product Overview
Calcium Diiodostearate (CAS 74988-01-5), with molecular formula C36H66CaI4O4 and molecular weight 1110.08 g/mol. IUPAC: calcium bis(9,12-diiodooctadecanoate).
Chemical Property Profile of Calcium Diiodostearate
Property Insights of Calcium Diiodostearate
The XLogP value of 11.2688 indicates that Calcium Diiodostearate 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 Diiodostearate. Following Lipinski's Rule of Five, Calcium Diiodostearate 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 Diiodostearate?
The CAS number of Calcium Diiodostearate is 74988-01-5.
What is the molecular formula of Calcium Diiodostearate?
The molecular formula of Calcium Diiodostearate is C36H66CaI4O4.
What is the molecular weight of Calcium Diiodostearate?
The molecular weight of Calcium Diiodostearate is 1110.08 g/mol.
Where can I buy Calcium Diiodostearate?
You can request a quote for Calcium Diiodostearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium Diiodostearate?
Yes, KEHONG BIO provides custom synthesis services for Calcium Diiodostearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.