1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone
TL;DR: 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone (CAS 144889-52-1) is a chemical compound with molecular formula C11H17NO6S and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-(4-acetyloxy-3-oxobutyl)sulfanylpropanoic acid
Also Known As: 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone, 2-acetamido-3-(4-acetyloxy-3-oxo-butyl)sulfanyl-propanoic Acid, 2-acetamido-3-(4-acetyloxy-3-oxobutyl)sulfanylpropanoic acid, (2R)-2-acetamido-3-(4-acetyloxy-3-oxobutyl)sulfanylpropanoic acid
| Molecular Formula | C11H17NO6S |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | -0.1688 |
| Topological Polar Surface Area | 109.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 291.07767 |
| Heavy Atoms | 19 |
| Complexity | 357.09457 |
Chemical Identifiers
| CAS Number | 144889-52-1 |
|---|---|
| SMILES | CC(=O)NC(CSCCC(=O)COC(=O)C)C(=O)O |
Product Overview
1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone (CAS 144889-52-1), with molecular formula C11H17NO6S and molecular weight 291.08 g/mol. IUPAC: 2-acetamido-3-(4-acetyloxy-3-oxobutyl)sulfanylpropanoic acid.
Chemical Property Profile of 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone
Property Insights of 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone
The XLogP value of -0.1688 indicates that 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone. Following Lipinski's Rule of Five, 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone has 2 hydrogen bond donor(s) and 6 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 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone?
The CAS number of 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone is 144889-52-1.
What is the molecular formula of 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone?
The molecular formula of 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone is C11H17NO6S.
What is the molecular weight of 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone?
The molecular weight of 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone is 291.08 g/mol.
Where can I buy 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone?
You can request a quote for 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.