Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester
TL;DR: Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester (CAS 617673-79-7) is a chemical compound with molecular formula C9H18O3S and molecular weight 206.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-hydroxy-4-methylsulfanylbutanoate
Also Known As: tert-butyl 2-hydroxy-4-methylsulfanylbutanoate, Tert-butyl 2-hydroxy-4-methylsulfanyl-butanoate, Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester, TERT-BUTYL 2-HYDROXY-4-(METHYLSULFANYL)BUTANOATE
| Molecular Formula | C9H18O3S |
|---|---|
| Molecular Weight | 206.10 g/mol |
| LogP | 1.4421 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.09767 |
| Heavy Atoms | 13 |
| Complexity | 162.73297 |
Chemical Identifiers
| CAS Number | 617673-79-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(CCSC)O |
Product Overview
Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester (CAS 617673-79-7), with molecular formula C9H18O3S and molecular weight 206.10 g/mol. IUPAC: tert-butyl 2-hydroxy-4-methylsulfanylbutanoate.
Chemical Property Profile of Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester
Property Insights of Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester
The XLogP value of 1.4421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 46.53 Ų, Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl 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
Frequently Asked Questions
What is the CAS number of Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester?
The CAS number of Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester is 617673-79-7.
What is the molecular formula of Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester?
The molecular formula of Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester is C9H18O3S.
What is the molecular weight of Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester?
The molecular weight of Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester is 206.10 g/mol.
Where can I buy Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester?
You can request a quote for Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-hydroxy-4-(methylthio)-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.