Ethitanin
TL;DR: Ethitanin (CAS 868-59-7) is a chemical compound with molecular formula C5H12ClNO2S and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]azanium chloride
Also Known As: Ethitanin, Mucastine, Taiciscon, Teincy, ethyl cysteine hydrochloride
| Molecular Formula | C5H12ClNO2S |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | -3.91 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 185.02773 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 868-59-7 |
|---|---|
| SMILES | CCOC(=O)[C@H](CS)[NH3+].[Cl-] |
| InChIKey | JFKJWWJOCJHMGV-WCCKRBBISA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethitanin (CAS 868-59-7), with molecular formula C5H12ClNO2S and molecular weight 185.03 g/mol. IUPAC: [(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]azanium chloride.
Chemical Property Profile of Ethitanin
Property Insights of Ethitanin
The XLogP value of -3.91 indicates that Ethitanin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.9 Ų, Ethitanin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethitanin has 2 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 Ethitanin?
The CAS number of Ethitanin is 868-59-7.
What is the molecular formula of Ethitanin?
The molecular formula of Ethitanin is C5H12ClNO2S.
What is the molecular weight of Ethitanin?
The molecular weight of Ethitanin is 185.03 g/mol.
Where can I buy Ethitanin?
You can request a quote for Ethitanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethitanin?
Yes, KEHONG BIO provides custom synthesis services for Ethitanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.