TL;DR: 2-Phenoxyethyl methanesulfonate (CAS 141482-06-6) is a chemical compound with molecular formula C9H12O4S and molecular weight 216.04562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenoxyethyl methanesulfonate
Also Known As: 2-phenoxyethyl methanesulfonate, phenoxyethyl mesylate, 1-methanesulfonyloxy-2-(phenoxy)ethane, 663-300-6
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H12O4S |
| Molecular Weight | 216.04562 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.04562 Da |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
| SMILES | CS(=O)(=O)OCCOC1=CC=CC=C1 |
| InChIKey | CEWGIIZKTNAOIY-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenoxyethyl methanesulfonate. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenoxyethyl methanesulfonate. Following Lipinski's Rule of Five, 2-Phenoxyethyl methanesulfonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Phenoxyethyl methanesulfonate is 141482-06-6.
The molecular formula of 2-Phenoxyethyl methanesulfonate is C9H12O4S.
The molecular weight of 2-Phenoxyethyl methanesulfonate is 216.04562 g/mol.
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