Calcium bis(2-hydroxy-4-(methylthio)butyrate)
TL;DR: Calcium bis(2-hydroxy-4-(methylthio)butyrate) (CAS 4857-44-7) is a chemical compound with molecular formula C10H18CaO6S2 and molecular weight 338.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-hydroxy-4-methylsulfanylbutanoate)
Also Known As: Calcium 2-hydroxy-4-(methylthio)butanoate, Desmeninol calcium, Desmeninol, calcium hydroxymethionine, Calcium bis(2-hydroxy-4-(methylthio)butyrate)
| Molecular Formula | C10H18CaO6S2 |
|---|---|
| Molecular Weight | 338.02 g/mol |
| LogP | -2.68 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.01706 |
| Heavy Atoms | 19 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 4857-44-7 |
|---|---|
| SMILES | CSCCC(C(=O)[O-])O.CSCCC(C(=O)[O-])O.[Ca+2] |
| InChIKey | ABRVDWASZFDIEH-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium bis(2-hydroxy-4-(methylthio)butyrate) (CAS 4857-44-7), with molecular formula C10H18CaO6S2 and molecular weight 338.02 g/mol. IUPAC: calcium bis(2-hydroxy-4-methylsulfanylbutanoate).
Chemical Property Profile of Calcium bis(2-hydroxy-4-(methylthio)butyrate)
Property Insights of Calcium bis(2-hydroxy-4-(methylthio)butyrate)
The XLogP value of -2.68 indicates that Calcium bis(2-hydroxy-4-(methylthio)butyrate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting Calcium bis(2-hydroxy-4-(methylthio)butyrate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium bis(2-hydroxy-4-(methylthio)butyrate) has 2 hydrogen bond donor(s) and 8 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 bis(2-hydroxy-4-(methylthio)butyrate)?
The CAS number of Calcium bis(2-hydroxy-4-(methylthio)butyrate) is 4857-44-7.
What is the molecular formula of Calcium bis(2-hydroxy-4-(methylthio)butyrate)?
The molecular formula of Calcium bis(2-hydroxy-4-(methylthio)butyrate) is C10H18CaO6S2.
What is the molecular weight of Calcium bis(2-hydroxy-4-(methylthio)butyrate)?
The molecular weight of Calcium bis(2-hydroxy-4-(methylthio)butyrate) is 338.02 g/mol.
Where can I buy Calcium bis(2-hydroxy-4-(methylthio)butyrate)?
You can request a quote for Calcium bis(2-hydroxy-4-(methylthio)butyrate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium bis(2-hydroxy-4-(methylthio)butyrate)?
Yes, KEHONG BIO provides custom synthesis services for Calcium bis(2-hydroxy-4-(methylthio)butyrate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.