![calcium di[(9E)-octadec-9-enoate] structure](/static/products/916/91672-12-7.png)
calcium di[(9E)-octadec-9-enoate]
TL;DR: calcium di[(9E)-octadec-9-enoate] (CAS 91672-12-7) is a chemical compound with molecular formula C36H66CaO4 and molecular weight 602.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis((E)-octadec-9-enoate)
Also Known As: CALCIUM OLEATE, Oleic acid, calcium salt, calcium (E)-octadec-9-enoate, calcium di[(9E)-octadec-9-enoate], 9-Octadecenoic acid(9Z)-, calcium salt (2:1)
| Molecular Formula | C36H66CaO4 |
|---|---|
| Molecular Weight | 602.46 g/mol |
| LogP | 9.1668 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 30 |
| Exact Mass | 602.4587 |
| Heavy Atoms | 41 |
| Complexity | 523.928 |
Chemical Identifiers
| CAS Number | 91672-12-7 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].[Ca+2] |
Product Overview
calcium di[(9E)-octadec-9-enoate] (CAS 91672-12-7), with molecular formula C36H66CaO4 and molecular weight 602.46 g/mol. IUPAC: calcium bis((E)-octadec-9-enoate).
Chemical Property Profile of calcium di[(9E)-octadec-9-enoate]
Property Insights of calcium di[(9E)-octadec-9-enoate]
The XLogP value of 9.1668 indicates that calcium di[(9E)-octadec-9-enoate] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for calcium di[(9E)-octadec-9-enoate]. Following Lipinski's Rule of Five, calcium di[(9E)-octadec-9-enoate] 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 di[(9E)-octadec-9-enoate]?
The CAS number of calcium di[(9E)-octadec-9-enoate] is 91672-12-7.
What is the molecular formula of calcium di[(9E)-octadec-9-enoate]?
The molecular formula of calcium di[(9E)-octadec-9-enoate] is C36H66CaO4.
What is the molecular weight of calcium di[(9E)-octadec-9-enoate]?
The molecular weight of calcium di[(9E)-octadec-9-enoate] is 602.46 g/mol.
Where can I buy calcium di[(9E)-octadec-9-enoate]?
You can request a quote for calcium di[(9E)-octadec-9-enoate] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for calcium di[(9E)-octadec-9-enoate]?
Yes, KEHONG BIO provides custom synthesis services for calcium di[(9E)-octadec-9-enoate] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.