S-(2-Acetamido-3-oxobutyl) ethanethioate
TL;DR: S-(2-Acetamido-3-oxobutyl) ethanethioate (CAS 63892-69-3) is a chemical compound with molecular formula C8H13NO3S and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-acetamido-3-oxobutyl) ethanethioate
Also Known As: S-(2-acetamido-3-oxobutyl) ethanethioate, 3-acetamido-4-acetylmercapto-2-butanone, RefChem:379401
| Molecular Formula | C8H13NO3S |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 203.06161 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 63892-69-3 |
|---|---|
| SMILES | CC(=O)C(CSC(=O)C)NC(=O)C |
| InChIKey | ACZOFACWGWCHPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(2-Acetamido-3-oxobutyl) ethanethioate (CAS 63892-69-3), with molecular formula C8H13NO3S and molecular weight 203.06 g/mol. IUPAC: S-(2-acetamido-3-oxobutyl) ethanethioate.
Chemical Property Profile of S-(2-Acetamido-3-oxobutyl) ethanethioate
Property Insights of S-(2-Acetamido-3-oxobutyl) ethanethioate
The XLogP value of -0.2 indicates that S-(2-Acetamido-3-oxobutyl) ethanethioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-Acetamido-3-oxobutyl) ethanethioate. Following Lipinski's Rule of Five, S-(2-Acetamido-3-oxobutyl) ethanethioate has 1 hydrogen bond donor(s) and 4 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 S-(2-Acetamido-3-oxobutyl) ethanethioate?
The CAS number of S-(2-Acetamido-3-oxobutyl) ethanethioate is 63892-69-3.
What is the molecular formula of S-(2-Acetamido-3-oxobutyl) ethanethioate?
The molecular formula of S-(2-Acetamido-3-oxobutyl) ethanethioate is C8H13NO3S.
What is the molecular weight of S-(2-Acetamido-3-oxobutyl) ethanethioate?
The molecular weight of S-(2-Acetamido-3-oxobutyl) ethanethioate is 203.06 g/mol.
Where can I buy S-(2-Acetamido-3-oxobutyl) ethanethioate?
You can request a quote for S-(2-Acetamido-3-oxobutyl) ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Acetamido-3-oxobutyl) ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Acetamido-3-oxobutyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.