Ethanol, 2,2,2-trichloro-, methanesulfonate
TL;DR: Ethanol, 2,2,2-trichloro-, methanesulfonate (CAS 57392-58-2) is a chemical compound with molecular formula C3H5Cl3O3S and molecular weight 225.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl methanesulfonate
Also Known As: 2,2,2-trichloroethyl methanesulfonate, ghl.PD_Mitscher_leg0.722, Ethanol, 2,2,2-trichloro-, methanesulfonate, 1,1,1-trichloro-2-methylsulfonyloxy-ethane, Methylsulfonic acid, 2,2,2-trichloroethyl ester
| Molecular Formula | C3H5Cl3O3S |
|---|---|
| Molecular Weight | 225.90 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.9025 |
| Heavy Atoms | 10 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 57392-58-2 |
|---|---|
| SMILES | CS(=O)(=O)OCC(Cl)(Cl)Cl |
| InChIKey | WSOBLQNNNMEZAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 2,2,2-trichloro-, methanesulfonate (CAS 57392-58-2), with molecular formula C3H5Cl3O3S and molecular weight 225.90 g/mol. IUPAC: 2,2,2-trichloroethyl methanesulfonate.
Chemical Property Profile of Ethanol, 2,2,2-trichloro-, methanesulfonate
Property Insights of Ethanol, 2,2,2-trichloro-, methanesulfonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2,2,2-trichloro-, methanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Ethanol, 2,2,2-trichloro-, methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2,2,2-trichloro-, methanesulfonate has 0 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, 2,2,2-trichloro-, methanesulfonate?
The CAS number of Ethanol, 2,2,2-trichloro-, methanesulfonate is 57392-58-2.
What is the molecular formula of Ethanol, 2,2,2-trichloro-, methanesulfonate?
The molecular formula of Ethanol, 2,2,2-trichloro-, methanesulfonate is C3H5Cl3O3S.
What is the molecular weight of Ethanol, 2,2,2-trichloro-, methanesulfonate?
The molecular weight of Ethanol, 2,2,2-trichloro-, methanesulfonate is 225.90 g/mol.
Where can I buy Ethanol, 2,2,2-trichloro-, methanesulfonate?
You can request a quote for Ethanol, 2,2,2-trichloro-, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2,2,2-trichloro-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2,2,2-trichloro-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.