2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid
TL;DR: 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid (CAS 1397003-53-0) is a chemical compound with molecular formula C13H16N2O6S2 and molecular weight 360.04498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid
Also Known As: AN-652/14704008, S-((4-Acetamidophenyl)sulfonyl)-N-acetylcysteine, N-acetyl[[4-(acetylamino)phenyl](dioxido)sulfanyl]cysteine, 2-acetamido-3-(((4-acetamidophenyl)sulfonyl)thio)propanoic acid, 2-acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid
Technical Specifications
| Molecular Formula | C13H16N2O6S2 |
| Molecular Weight | 360.04498 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.04498 Da |
| Heavy Atoms | 23 |
| Complexity | 549.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)SCC(C(=O)O)NC(=O)C |
| InChIKey | PCQKLIJGTUJCAD-UHFFFAOYSA-N |
Chemical Property Profile of 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid
Property Insights of 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid
The XLogP value of -0.3 indicates that 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid?
The CAS number of 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid is 1397003-53-0.
What is the molecular formula of 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid?
The molecular formula of 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid is C13H16N2O6S2.
What is the molecular weight of 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid?
The molecular weight of 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid is 360.04498 g/mol.
Where can I buy 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid?
You can request a quote for 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.