异辛酸钙盐(2:1)
TL;DR: 异辛酸钙盐(2:1) (CAS 85896-50-0) is a chemical compound with molecular formula C16H30CaO4 and molecular weight 326.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异辛酸钙盐(2:1)
calcium bis(6-methylheptanoate)
Also Known As: Calcium(II) isooctanoate, calcium 6-methylheptanoate, calcium isooctanoate, calcium;6-methylheptanoate, starbld0019343
| Molecular Formula | C16H30CaO4 |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | 1.5246 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.177 |
| Heavy Atoms | 21 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 85896-50-0 |
|---|---|
| SMILES | CC(C)CCCCC(=O)[O-].CC(C)CCCCC(=O)[O-].[Ca+2] |
| InChIKey | OXQUUWINCOYVJL-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异辛酸钙盐(2:1) (CAS 85896-50-0), with molecular formula C16H30CaO4 and molecular weight 326.18 g/mol. IUPAC: calcium bis(6-methylheptanoate).
Chemical Property Profile of 异辛酸钙盐(2:1)
Property Insights of 异辛酸钙盐(2:1)
The XLogP value of 1.5246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异辛酸钙盐(2:1). The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 异辛酸钙盐(2:1). Following Lipinski's Rule of Five, 异辛酸钙盐(2:1) 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 异辛酸钙盐(2:1)?
The CAS number of 异辛酸钙盐(2:1) is 85896-50-0.
What is the molecular formula of 异辛酸钙盐(2:1)?
The molecular formula of 异辛酸钙盐(2:1) is C16H30CaO4.
What is the molecular weight of 异辛酸钙盐(2:1)?
The molecular weight of 异辛酸钙盐(2:1) is 326.18 g/mol.
Where can I buy 异辛酸钙盐(2:1)?
You can request a quote for 异辛酸钙盐(2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异辛酸钙盐(2:1)?
Yes, KEHONG BIO provides custom synthesis services for 异辛酸钙盐(2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.