Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate
TL;DR: Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate (CAS 102516-57-4) is a chemical compound with molecular formula C8H11BrFNO3S and molecular weight 298.9627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate
Also Known As: N-Acetyl-3-((2-bromo-1-fluorovinyl)thio)alanine methyl ester, L-Cysteine,N-acetyl-S-(2-bromo-1-fluoroethenyl)-, methyl ester, ALANINE, N-ACETYL-3-((2-BROMO-1-FLUOROVINYL)THIO)-, METHYL ESTER
Technical Specifications
| Molecular Formula | C8H11BrFNO3S |
| Molecular Weight | 298.9627 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.9627 Da |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
| SMILES | CC(=O)NC(CSC(=CBr)F)C(=O)OC |
| InChIKey | SHUNLFZVSABWSW-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate
Property Insights of Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate. Following Lipinski's Rule of Five, Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate has 1 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-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate?
The CAS number of Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate is 102516-57-4.
What is the molecular formula of Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate?
The molecular formula of Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate is C8H11BrFNO3S.
What is the molecular weight of Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate?
The molecular weight of Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate is 298.9627 g/mol.
Where can I buy Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate?
You can request a quote for Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.