TL;DR: 2-(2-Methyl-10H-phenothiazin-10-yl)ethyl methanesulfonate (CAS 101976-41-4) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methylphenothiazin-10-yl)ethyl methanesulfonate
Also Known As: 2-Methylphenothiazine-10-ethanol methanesulfonate, Phenothiazine-10-ethanol, 2-methyl-, methanesulfonate, 2-(2-METHYL-10H-PHENOTHIAZIN-10-YL)ETHYL METHANESULFONATE, 2-(2-methylphenothiazin-10-yl)ethyl methanesulfonate, Methylsulfonic acid, ester with 10-(2-hydroxypropyl)phenothiazine
| Molecular Formula | C16H17NO3S2 |
| Molecular Weight | 335.06497 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.06497 Da |
| Heavy Atoms | 22 |
| Complexity | 476.0 |
| SMILES | CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCOS(=O)(=O)C |
| InChIKey | XDHZDMADULAEQS-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-(2-Methyl-10H-phenothiazin-10-yl)ethyl methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methyl-10H-phenothiazin-10-yl)ethyl methanesulfonate. Following Lipinski's Rule of Five, 2-(2-Methyl-10H-phenothiazin-10-yl)ethyl methanesulfonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2-Methyl-10H-phenothiazin-10-yl)ethyl methanesulfonate is 101976-41-4.
The molecular formula of 2-(2-Methyl-10H-phenothiazin-10-yl)ethyl methanesulfonate is C16H17NO3S2.
The molecular weight of 2-(2-Methyl-10H-phenothiazin-10-yl)ethyl methanesulfonate is 335.06497 g/mol.
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