S,N-diacetylcysteine monoethyl ester
TL;DR: S,N-diacetylcysteine monoethyl ester (CAS 19547-89-8) is a chemical compound with molecular formula C9H15NO4S and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2R)-2-acetamido-3-acetylsulfanylpropanoate
Also Known As: DACE cpd, S,N-Diacetylcysteine monoethyl ester, (R)-ethyl 2-acetamido-3-(acetylthio)propanoate, N,S-Diacetylcysteine ethyl ester, S,N-diacetylcysteine ethyl ester
| Molecular Formula | C9H15NO4S |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 0.3339 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.07217 |
| Heavy Atoms | 15 |
| Complexity | 254.4969 |
Chemical Identifiers
| CAS Number | 19547-89-8 |
|---|---|
| SMILES | CCOC(=O)[C@H](CSC(=O)C)NC(=O)C |
Product Overview
S,N-diacetylcysteine monoethyl ester (CAS 19547-89-8), with molecular formula C9H15NO4S and molecular weight 233.07 g/mol. IUPAC: ethyl (2R)-2-acetamido-3-acetylsulfanylpropanoate.
Chemical Property Profile of S,N-diacetylcysteine monoethyl ester
Property Insights of S,N-diacetylcysteine monoethyl ester
The XLogP value of 0.3339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S,N-diacetylcysteine monoethyl ester. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for S,N-diacetylcysteine monoethyl ester. Following Lipinski's Rule of Five, S,N-diacetylcysteine monoethyl ester 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
Frequently Asked Questions
What is the CAS number of S,N-diacetylcysteine monoethyl ester?
The CAS number of S,N-diacetylcysteine monoethyl ester is 19547-89-8.
What is the molecular formula of S,N-diacetylcysteine monoethyl ester?
The molecular formula of S,N-diacetylcysteine monoethyl ester is C9H15NO4S.
What is the molecular weight of S,N-diacetylcysteine monoethyl ester?
The molecular weight of S,N-diacetylcysteine monoethyl ester is 233.07 g/mol.
Where can I buy S,N-diacetylcysteine monoethyl ester?
You can request a quote for S,N-diacetylcysteine monoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,N-diacetylcysteine monoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for S,N-diacetylcysteine monoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.