S-Acetylcysteine ethylester
TL;DR: S-Acetylcysteine ethylester (CAS 89895-86-3) is a chemical compound with molecular formula C7H13NO3S and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2R)-3-acetylsulfanyl-2-aminopropanoate
Also Known As: S-Acetylcysteine ethylester, L-Cysteine, ethyl ester, acetate (ester), Ethyl (2S)-3-acetylsulfanyl-2-amino-propanoate
| Molecular Formula | C7H13NO3S |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 0.1565 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.06161 |
| Heavy Atoms | 12 |
| Complexity | 172.03442 |
Chemical Identifiers
| CAS Number | 89895-86-3 |
|---|---|
| SMILES | CCOC(=O)[C@H](CSC(=O)C)N |
Product Overview
S-Acetylcysteine ethylester (CAS 89895-86-3), with molecular formula C7H13NO3S and molecular weight 191.06 g/mol. IUPAC: ethyl (2R)-3-acetylsulfanyl-2-aminopropanoate.
Chemical Property Profile of S-Acetylcysteine ethylester
Property Insights of S-Acetylcysteine ethylester
The XLogP value of 0.1565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Acetylcysteine ethylester. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Acetylcysteine ethylester. Following Lipinski's Rule of Five, S-Acetylcysteine ethylester 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-Acetylcysteine ethylester?
The CAS number of S-Acetylcysteine ethylester is 89895-86-3.
What is the molecular formula of S-Acetylcysteine ethylester?
The molecular formula of S-Acetylcysteine ethylester is C7H13NO3S.
What is the molecular weight of S-Acetylcysteine ethylester?
The molecular weight of S-Acetylcysteine ethylester is 191.06 g/mol.
Where can I buy S-Acetylcysteine ethylester?
You can request a quote for S-Acetylcysteine ethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Acetylcysteine ethylester?
Yes, KEHONG BIO provides custom synthesis services for S-Acetylcysteine ethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.