Tert-butyl 2-amino-4-(methylsulfanyl)butanoate
TL;DR: Tert-butyl 2-amino-4-(methylsulfanyl)butanoate (CAS 91183-71-0) is a chemical compound with molecular formula C9H19NO2S and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-amino-4-methylsulfanylbutanoate
Also Known As: h-met-otbu.hcl, tert-butyl 2-amino-4-methylsulfanylbutanoate, Tert-butyl 2-amino-4-methylsulfanyl-butanoate, tert-butyl 2-amino-4-(methylsulfanyl)butanoate, tert-butyl (2S)-2-amino-4-methylsulfanylbutanoate
| Molecular Formula | C9H19NO2S |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.4085 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.11365 |
| Heavy Atoms | 13 |
| Complexity | 165.48787 |
Chemical Identifiers
| CAS Number | 91183-71-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(CCSC)N |
Product Overview
Tert-butyl 2-amino-4-(methylsulfanyl)butanoate (CAS 91183-71-0), with molecular formula C9H19NO2S and molecular weight 205.11 g/mol. IUPAC: tert-butyl 2-amino-4-methylsulfanylbutanoate.
Chemical Property Profile of Tert-butyl 2-amino-4-(methylsulfanyl)butanoate
Property Insights of Tert-butyl 2-amino-4-(methylsulfanyl)butanoate
The XLogP value of 1.4085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-amino-4-(methylsulfanyl)butanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Tert-butyl 2-amino-4-(methylsulfanyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-amino-4-(methylsulfanyl)butanoate 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 Tert-butyl 2-amino-4-(methylsulfanyl)butanoate?
The CAS number of Tert-butyl 2-amino-4-(methylsulfanyl)butanoate is 91183-71-0.
What is the molecular formula of Tert-butyl 2-amino-4-(methylsulfanyl)butanoate?
The molecular formula of Tert-butyl 2-amino-4-(methylsulfanyl)butanoate is C9H19NO2S.
What is the molecular weight of Tert-butyl 2-amino-4-(methylsulfanyl)butanoate?
The molecular weight of Tert-butyl 2-amino-4-(methylsulfanyl)butanoate is 205.11 g/mol.
Where can I buy Tert-butyl 2-amino-4-(methylsulfanyl)butanoate?
You can request a quote for Tert-butyl 2-amino-4-(methylsulfanyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-amino-4-(methylsulfanyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-amino-4-(methylsulfanyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.