Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride
TL;DR: Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride (CAS 69352-77-8) is a chemical compound with molecular formula C6H11Cl4NO2S and molecular weight 300.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2,2,2-trichloro-1-hydroxyethyl)sulfanylethyl]acetamide;hydrochloride
Also Known As: 1-(2-Acetamidoethylthio)-2,2,2-trichloroethanol hydrochloride, Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride, N-[2-(2,2,2-trichloro-1-hydroxyethyl)sulfanylethyl]acetamide hydrochloride, Acetamide, N-[2-[(2,2,2-trichloro-1-hydroxyethyl)thio]ethyl]-, hydrochloride, N-{2-[(2,2,2-Trichloro-1-hydroxyethyl)sulfanyl]ethyl}ethanimidic acid--hydrogen chloride (1/1)
| Molecular Formula | C6H11Cl4NO2S |
|---|---|
| Molecular Weight | 300.93 g/mol |
| LogP | 1.9661 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.92645 |
| Heavy Atoms | 14 |
| Complexity | 175.70467 |
Chemical Identifiers
| CAS Number | 69352-77-8 |
|---|---|
| SMILES | CC(=O)NCCSC(C(Cl)(Cl)Cl)O.Cl |
Product Overview
Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride (CAS 69352-77-8), with molecular formula C6H11Cl4NO2S and molecular weight 300.93 g/mol. IUPAC: N-[2-(2,2,2-trichloro-1-hydroxyethyl)sulfanylethyl]acetamide;hydrochloride.
Chemical Property Profile of Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride
Property Insights of Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride
The XLogP value of 1.9661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride. With a topological polar surface area (TPSA) of 49.33 Ų, Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride has 2 hydrogen bond donor(s) and 3 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 Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride?
The CAS number of Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride is 69352-77-8.
What is the molecular formula of Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride?
The molecular formula of Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride is C6H11Cl4NO2S.
What is the molecular weight of Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride?
The molecular weight of Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride is 300.93 g/mol.
Where can I buy Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride?
You can request a quote for Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 1-(2-acetamidoethylthio)-2,2,2-trichloro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.