Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester
TL;DR: Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester (CAS 161193-00-6) is a chemical compound with molecular formula C11H22O3S and molecular weight 234.12897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexyl 2-hydroxy-4-methylsulfanylbutanoate
Also Known As: hexyl 2-hydroxy-4-(methylthio)butanoate, hexyl 2-hydroxy-4-methylsulfanylbutanoate, Hexyl 2-hydroxy-4-methylsulfanyl-butanoate, Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester, HEXYL 2-HYDROXY-4-(METHYLSULFANYL)BUTANOATE
Technical Specifications
| Molecular Formula | C11H22O3S |
| Molecular Weight | 234.12897 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 234.12897 Da |
| Heavy Atoms | 15 |
| Complexity | 162.0 |
| SMILES | CCCCCCOC(=O)C(CCSC)O |
| InChIKey | YWWBUZVHTWILSP-UHFFFAOYSA-N |
Chemical Property Profile of Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester
Property Insights of Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester. Following Lipinski's Rule of Five, Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester?
The CAS number of Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester is 161193-00-6.
What is the molecular formula of Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester?
The molecular formula of Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester is C11H22O3S.
What is the molecular weight of Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester?
The molecular weight of Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester is 234.12897 g/mol.
Where can I buy Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester?
You can request a quote for Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 2-hydroxy-4-(methylthio)-, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.