TL;DR: Ketone, tert-butylaminomethyl phenothiazin-10-yl, hydrochloride (CAS 29722-83-6) is a chemical compound with molecular formula C18H21ClN2OS and molecular weight 348.10632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(tert-butylamino)-1-phenothiazin-10-ylethanone;hydrochloride
Also Known As: Phenothiazine, 10-(2-tert-butylaminoacetyl)-, hydrochloride, KETONE, tert-BUTYLAMINOMETHYL PHENOTHIAZIN-10-YL, HYDROCHLORIDE, 2-(tert-butylamino)-1-phenothiazin-10-ylethanone,hydrochloride, Phenothiazine, 10-(N-tert-butylglycyl)-, monohydrochloride, 2-(tert-butylamino)-1-phenothiazin-10-ylethanone hydrochloride
| Molecular Formula | C18H21ClN2OS |
| Molecular Weight | 348.10632 g/mol |
| XLogP | 4.63 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.10632 Da |
| Heavy Atoms | 23 |
| Complexity | 384.0 |
| SMILES | CC(C)(C)NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.Cl |
| InChIKey | HQKZCEXAHDXKGB-UHFFFAOYSA-N |
The XLogP value of 4.63 indicates that Ketone, tert-butylaminomethyl phenothiazin-10-yl, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, Ketone, tert-butylaminomethyl phenothiazin-10-yl, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, tert-butylaminomethyl phenothiazin-10-yl, hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ketone, tert-butylaminomethyl phenothiazin-10-yl, hydrochloride is 29722-83-6.
The molecular formula of Ketone, tert-butylaminomethyl phenothiazin-10-yl, hydrochloride is C18H21ClN2OS.
The molecular weight of Ketone, tert-butylaminomethyl phenothiazin-10-yl, hydrochloride is 348.10632 g/mol.
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