methyl (2S)-2-methylsulfanylbutanoate
TL;DR: methyl (2S)-2-methylsulfanylbutanoate (CAS 51534-66-8) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-methylsulfanylbutanoate
Also Known As: Methyl 2-(methylthio)butyrate, methyl 2-methylsulfanylbutanoate, methyl 2-(methyl thio) butyrate, methyl (2S)-2-methylsulfanylbutanoate
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.301 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 89.05865 |
Chemical Identifiers
| CAS Number | 51534-66-8 |
|---|---|
| SMILES | CC[C@@H](C(=O)OC)SC |
Product Overview
methyl (2S)-2-methylsulfanylbutanoate (CAS 51534-66-8), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: methyl (2S)-2-methylsulfanylbutanoate.
Chemical Property Profile of methyl (2S)-2-methylsulfanylbutanoate
Property Insights of methyl (2S)-2-methylsulfanylbutanoate
The XLogP value of 1.301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-2-methylsulfanylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, methyl (2S)-2-methylsulfanylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2S)-2-methylsulfanylbutanoate has 0 hydrogen bond donor(s) and 3 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 methyl (2S)-2-methylsulfanylbutanoate?
The CAS number of methyl (2S)-2-methylsulfanylbutanoate is 51534-66-8.
What is the molecular formula of methyl (2S)-2-methylsulfanylbutanoate?
The molecular formula of methyl (2S)-2-methylsulfanylbutanoate is C6H12O2S.
What is the molecular weight of methyl (2S)-2-methylsulfanylbutanoate?
The molecular weight of methyl (2S)-2-methylsulfanylbutanoate is 148.06 g/mol.
Where can I buy methyl (2S)-2-methylsulfanylbutanoate?
You can request a quote for methyl (2S)-2-methylsulfanylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S)-2-methylsulfanylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S)-2-methylsulfanylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.