tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate
TL;DR: tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate (CAS 5854-78-4) is a chemical compound with molecular formula C12H25NO3 and molecular weight 231.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
Also Known As: H-Thr(tBu)-OtBu, Boc-statine, O-tert-Butyl-L-threonine tert-Butyl Ester, L-Thr(tBu)-OtBu, (2S,3R)-tert-Butyl 2-amino-3-(tert-butoxy)butanoate
| Molecular Formula | C12H25NO3 |
|---|---|
| Molecular Weight | 231.18 g/mol |
| LogP | 1.859 |
| Topological Polar Surface Area | 61.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.18344 |
| Heavy Atoms | 16 |
| Complexity | 237.62888 |
Chemical Identifiers
| CAS Number | 5854-78-4 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)OC(C)(C)C)N)OC(C)(C)C |
Product Overview
tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate (CAS 5854-78-4), with molecular formula C12H25NO3 and molecular weight 231.18 g/mol. IUPAC: tert-butyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate.
Chemical Property Profile of tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate
Property Insights of tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate
The XLogP value of 1.859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate. The TPSA of 61.55 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate. Following Lipinski's Rule of Five, tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)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 (2S,3R)-2-amino-3-(tert-butoxy)butanoate?
The CAS number of tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate is 5854-78-4.
What is the molecular formula of tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate?
The molecular formula of tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate is C12H25NO3.
What is the molecular weight of tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate?
The molecular weight of tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate is 231.18 g/mol.
Where can I buy tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate?
You can request a quote for tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)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 (2S,3R)-2-amino-3-(tert-butoxy)butanoate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.