Methyl 2-acetamido-3-sulfanylpropanoate
TL;DR: Methyl 2-acetamido-3-sulfanylpropanoate (CAS 118398-49-5) is a chemical compound with molecular formula C6H11NO3S and molecular weight 177.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-acetamido-3-sulfanylpropanoate
Also Known As: N-Acetyl-L-cysteine methyl ester, methyl 2-acetamido-3-sulfanylpropanoate, n-acetylcysteine methyl ester, methyl2-acetamido-3-sulfanylpropanoate, (R)-methyl 2-acetamido-3-mercaptopropanoate
Technical Specifications
| Molecular Formula | C6H11NO3S |
| Molecular Weight | 177.04596 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 56.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.04596 Da |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
| SMILES | CC(=O)NC(CS)C(=O)OC |
| InChIKey | QTKAQJWFVXPIFV-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-acetamido-3-sulfanylpropanoate
Property Insights of Methyl 2-acetamido-3-sulfanylpropanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetamido-3-sulfanylpropanoate. With a topological polar surface area (TPSA) of 56.4 Ų, Methyl 2-acetamido-3-sulfanylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-acetamido-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
What is the CAS number of Methyl 2-acetamido-3-sulfanylpropanoate?
The CAS number of Methyl 2-acetamido-3-sulfanylpropanoate is 118398-49-5.
What is the molecular formula of Methyl 2-acetamido-3-sulfanylpropanoate?
The molecular formula of Methyl 2-acetamido-3-sulfanylpropanoate is C6H11NO3S.
What is the molecular weight of Methyl 2-acetamido-3-sulfanylpropanoate?
The molecular weight of Methyl 2-acetamido-3-sulfanylpropanoate is 177.04596 g/mol.
Where can I buy Methyl 2-acetamido-3-sulfanylpropanoate?
You can request a quote for Methyl 2-acetamido-3-sulfanylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-acetamido-3-sulfanylpropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-acetamido-3-sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.