Calcium diisovalerate
TL;DR: Calcium diisovalerate (CAS 591-61-7) is a chemical compound with molecular formula C10H18CaO4 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(3-methylbutanoate)
Also Known As: Calcium diisovalerate, Calcium isovalerate, calciumdiisovalerate, calcium;3-methylbutanoate, calcium 3-methylbutanoate
| Molecular Formula | C10H18CaO4 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | -0.816 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.0831 |
| Heavy Atoms | 15 |
| Complexity | 158.2612 |
Chemical Identifiers
| CAS Number | 591-61-7 |
|---|---|
| SMILES | CC(C)CC(=O)[O-].CC(C)CC(=O)[O-].[Ca+2] |
Product Overview
Calcium diisovalerate (CAS 591-61-7), with molecular formula C10H18CaO4 and molecular weight 242.08 g/mol. IUPAC: calcium bis(3-methylbutanoate).
Chemical Property Profile of Calcium diisovalerate
Property Insights of Calcium diisovalerate
The XLogP value of -0.816 indicates that Calcium diisovalerate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium diisovalerate. Following Lipinski's Rule of Five, Calcium diisovalerate 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 Calcium diisovalerate?
The CAS number of Calcium diisovalerate is 591-61-7.
What is the molecular formula of Calcium diisovalerate?
The molecular formula of Calcium diisovalerate is C10H18CaO4.
What is the molecular weight of Calcium diisovalerate?
The molecular weight of Calcium diisovalerate is 242.08 g/mol.
Where can I buy Calcium diisovalerate?
You can request a quote for Calcium diisovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium diisovalerate?
Yes, KEHONG BIO provides custom synthesis services for Calcium diisovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.