Tert-butyl 2-amino-3-sulfanylpropanoate
TL;DR: Tert-butyl 2-amino-3-sulfanylpropanoate (CAS 139446-03-0) is a chemical compound with molecular formula C7H15NO2S and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-amino-3-sulfanylpropanoate
Also Known As: NCIOpen2_001682, tert-butyl 2-amino-3-sulfanylpropanoate
| Molecular Formula | C7H15NO2S |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.08235 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 139446-03-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(CS)N |
| InChIKey | QWEFONOWYMLVTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 2-amino-3-sulfanylpropanoate (CAS 139446-03-0), with molecular formula C7H15NO2S and molecular weight 177.08 g/mol. IUPAC: tert-butyl 2-amino-3-sulfanylpropanoate.
Chemical Property Profile of Tert-butyl 2-amino-3-sulfanylpropanoate
Property Insights of Tert-butyl 2-amino-3-sulfanylpropanoate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-amino-3-sulfanylpropanoate. With a topological polar surface area (TPSA) of 53.3 Ų, Tert-butyl 2-amino-3-sulfanylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-amino-3-sulfanylpropanoate has 2 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-3-sulfanylpropanoate?
The CAS number of Tert-butyl 2-amino-3-sulfanylpropanoate is 139446-03-0.
What is the molecular formula of Tert-butyl 2-amino-3-sulfanylpropanoate?
The molecular formula of Tert-butyl 2-amino-3-sulfanylpropanoate is C7H15NO2S.
What is the molecular weight of Tert-butyl 2-amino-3-sulfanylpropanoate?
The molecular weight of Tert-butyl 2-amino-3-sulfanylpropanoate is 177.08 g/mol.
Where can I buy Tert-butyl 2-amino-3-sulfanylpropanoate?
You can request a quote for Tert-butyl 2-amino-3-sulfanylpropanoate 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-3-sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-amino-3-sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.