Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate
TL;DR: Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate (CAS 133904-67-3) is a chemical compound with molecular formula C9H17NO4S and molecular weight 235.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoate
Also Known As: n-boc-d-cysteine methyl ester, methyl 2-{[(tert-butoxy)carbonyl]amino}-3-sulfanylpropanoate, n-boc-l-cysteine methyl ester, N-(tert-Butoxycarbonyl)-L-cysteine methyl ester, Methyl (tert-butoxycarbonyl)-L-cysteinate
Technical Specifications
| Molecular Formula | C9H17NO4S |
| Molecular Weight | 235.08783 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.08783 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | CC(C)(C)OC(=O)NC(CS)C(=O)OC |
| InChIKey | NJGIAKIPSDCYAC-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate
Property Insights of Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate. Following Lipinski's Rule of Five, Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate?
The CAS number of Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate is 133904-67-3.
What is the molecular formula of Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate?
The molecular formula of Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate is C9H17NO4S.
What is the molecular weight of Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate?
The molecular weight of Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate is 235.08783 g/mol.
Where can I buy Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate?
You can request a quote for Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.