Calcium 3-methyl-2-oxovalerate hydrate
TL;DR: Calcium 3-methyl-2-oxovalerate hydrate (CAS 305808-15-5) is a chemical compound with molecular formula C12H18CaO6 and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(3-methyl-2-oxopentanoate)
Also Known As: 3-Methyl-2-oxovaleric Acid Calcium Salt, calcium 3-methyl-2-oxopentanoate, calcium;3-methyl-2-oxopentanoate, Calcium 3-methyl-2-oxo-pentanoate, calcium 3-methyl-2-oxovalerate hydrate
| Molecular Formula | C12H18CaO6 |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | -1.6778 |
| Topological Polar Surface Area | 114.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.07294 |
| Heavy Atoms | 19 |
| Complexity | 294.1813 |
Chemical Identifiers
| CAS Number | 305808-15-5 |
|---|---|
| SMILES | CCC(C)C(=O)C(=O)[O-].CCC(C)C(=O)C(=O)[O-].[Ca+2] |
Product Overview
Calcium 3-methyl-2-oxovalerate hydrate (CAS 305808-15-5), with molecular formula C12H18CaO6 and molecular weight 298.07 g/mol. IUPAC: calcium bis(3-methyl-2-oxopentanoate).
Chemical Property Profile of Calcium 3-methyl-2-oxovalerate hydrate
Property Insights of Calcium 3-methyl-2-oxovalerate hydrate
The XLogP value of -1.6778 indicates that Calcium 3-methyl-2-oxovalerate hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium 3-methyl-2-oxovalerate hydrate. Following Lipinski's Rule of Five, Calcium 3-methyl-2-oxovalerate hydrate has 0 hydrogen bond donor(s) and 6 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 3-methyl-2-oxovalerate hydrate?
The CAS number of Calcium 3-methyl-2-oxovalerate hydrate is 305808-15-5.
What is the molecular formula of Calcium 3-methyl-2-oxovalerate hydrate?
The molecular formula of Calcium 3-methyl-2-oxovalerate hydrate is C12H18CaO6.
What is the molecular weight of Calcium 3-methyl-2-oxovalerate hydrate?
The molecular weight of Calcium 3-methyl-2-oxovalerate hydrate is 298.07 g/mol.
Where can I buy Calcium 3-methyl-2-oxovalerate hydrate?
You can request a quote for Calcium 3-methyl-2-oxovalerate hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium 3-methyl-2-oxovalerate hydrate?
Yes, KEHONG BIO provides custom synthesis services for Calcium 3-methyl-2-oxovalerate hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.