异丁酸钙盐
TL;DR: 异丁酸钙盐 (CAS 533-90-4) is a chemical compound with molecular formula C8H14CaO4 and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丁酸钙盐
calcium bis(2-methylpropanoate)
Also Known As: Calcium diisobutyrate, CALCIUM ISOBUTYRATE, calcium 2-methylpropanoate, calcium bis(2-methylpropanoate), calcium,2-methylpropanoate
| Molecular Formula | C8H14CaO4 |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.0518 |
| Heavy Atoms | 13 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 533-90-4 |
|---|---|
| SMILES | CC(C)C(=O)[O-].CC(C)C(=O)[O-].[Ca+2] |
| InChIKey | BVTQVYBMHFSYPL-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丁酸钙盐 (CAS 533-90-4), with molecular formula C8H14CaO4 and molecular weight 214.05 g/mol. IUPAC: calcium bis(2-methylpropanoate).
Chemical Property Profile of 异丁酸钙盐
Property Insights of 异丁酸钙盐
The XLogP value of -1.6 indicates that 异丁酸钙盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 异丁酸钙盐. Following Lipinski's Rule of Five, 异丁酸钙盐 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 异丁酸钙盐?
The CAS number of 异丁酸钙盐 is 533-90-4.
What is the molecular formula of 异丁酸钙盐?
The molecular formula of 异丁酸钙盐 is C8H14CaO4.
What is the molecular weight of 异丁酸钙盐?
The molecular weight of 异丁酸钙盐 is 214.05 g/mol.
Where can I buy 异丁酸钙盐?
You can request a quote for 异丁酸钙盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁酸钙盐?
Yes, KEHONG BIO provides custom synthesis services for 异丁酸钙盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.