Ketosteril
TL;DR: Ketosteril (CAS 68934-50-9) is a chemical compound with molecular formula C31H46O15S and molecular weight 690.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-methylsulfanylbutanoic acid;3-methyl-2-oxobutanoic acid;3-methyl-2-oxopentanoic acid;4-methyl-2-oxopentanoic acid;2-oxo-3-phenylpropanoic acid
Also Known As: Ketosteril, 2-hydroxy-4-methylsulfanylbutanoic acid;3-methyl-2-oxobutanoic acid;3-methyl-2-oxopentanoic acid;4-methyl-2-oxopentanoic acid;2-oxo-3-phenylpropanoic acid, Benzenepropanoic acid, alpha-oxo-, mixt. with (+-)-2-hydroxy-4-(methylthio)butanoic acid, 3-methyl-2-oxobutanoic acid, (+-)-3-methyl-2-oxopentanoic acid and 4-methyl-2-oxopentanoic acid, 2-hydroxy-4-methylsulfanylbutanoic acid; 3-methyl-2-oxobutanoic acid; 3-methyl-2-oxopentanoic acid; 4-methyl-2-oxopentanoic acid; 2-oxo-3-phenylpropanoic acid, RefChem:151160
| Molecular Formula | C31H46O15S |
|---|---|
| Molecular Weight | 690.26 g/mol |
| LogP | 2.7363 |
| Topological Polar Surface Area | 300.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 690.25574 |
| Heavy Atoms | 47 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 68934-50-9 |
|---|---|
| SMILES | CCC(C)C(=O)C(=O)O.CC(C)CC(=O)C(=O)O.CC(C)C(=O)C(=O)O.CSCCC(C(=O)O)O.C1=CC=C(C=C1)CC(=O)C(=O)O |
| InChIKey | GYVADCQLHHMYLW-UHFFFAOYSA-N |
Product Overview
Ketosteril (CAS 68934-50-9), with molecular formula C31H46O15S and molecular weight 690.26 g/mol. IUPAC: 2-hydroxy-4-methylsulfanylbutanoic acid;3-methyl-2-oxobutanoic acid;3-methyl-2-oxopentanoic acid;4-methyl-2-oxopentanoic acid;2-oxo-3-phenylpropanoic acid.
Chemical Property Profile of Ketosteril
Property Insights of Ketosteril
The XLogP value of 2.7363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketosteril. The TPSA of 300.0 Ų indicates high polarity, suggesting Ketosteril may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ketosteril has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ketosteril?
The CAS number of Ketosteril is 68934-50-9.
What is the molecular formula of Ketosteril?
The molecular formula of Ketosteril is C31H46O15S.
What is the molecular weight of Ketosteril?
The molecular weight of Ketosteril is 690.26 g/mol.
Where can I buy Ketosteril?
You can request a quote for Ketosteril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketosteril?
Yes, KEHONG BIO provides custom synthesis services for Ketosteril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.