Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1)
TL;DR: Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1) (CAS 68171-61-9) is a chemical compound with molecular formula C40H74CaO8 and molecular weight 722.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(12-acetyloxyoctadecanoate)
Also Known As: Calcium 12-(acetoxy)octadecanoate, calcium12- octadecanoate, calcium 12-acetyloxyoctadecanoate, C20H38O4.1/2Ca, calcium bis(12-acetoxyoctadecanoate)
| Molecular Formula | C40H74CaO8 |
|---|---|
| Molecular Weight | 722.50 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 34 |
| Exact Mass | 722.501 |
| Heavy Atoms | 49 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 68171-61-9 |
|---|---|
| SMILES | CCCCCCC(CCCCCCCCCCC(=O)[O-])OC(=O)C.CCCCCCC(CCCCCCCCCCC(=O)[O-])OC(=O)C.[Ca+2] |
| InChIKey | OELKSGXMBPJHFW-UHFFFAOYSA-L |
Product Overview
Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1) (CAS 68171-61-9), with molecular formula C40H74CaO8 and molecular weight 722.50 g/mol. IUPAC: calcium bis(12-acetyloxyoctadecanoate).
Chemical Property Profile of Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1)
Property Insights of Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1)
The XLogP value of 8.7 indicates that Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1). Following Lipinski's Rule of Five, Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1)?
The CAS number of Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1) is 68171-61-9.
What is the molecular formula of Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1)?
The molecular formula of Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1) is C40H74CaO8.
What is the molecular weight of Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1)?
The molecular weight of Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1) is 722.50 g/mol.
Where can I buy Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1)?
You can request a quote for Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.