TL;DR: RefChem:436282 (CAS 14796-43-1) is a chemical compound with molecular formula C20H27N2O5PS and molecular weight 438.13782 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;phosphoric acid
Also Known As: EINECS 238-856-4, 1-(10-(3-(Dimethylamino)propyl)-10H-phenothiazin-2-yl)propan-1-onephosphate, 1-Propanone, 1-(10-(3-(dimethylamino)propyl)-10H-phenothiazin-2-yl)-, phosphate (1:1), 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one; phosphoric acid, 1-Propanone, 1-[10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl]-, phosphate (1:1)
| Molecular Formula | C20H27N2O5PS |
| Molecular Weight | 438.13782 g/mol |
| XLogP | 3.9035 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.13782 Da |
| Heavy Atoms | 29 |
| Complexity | 491.0 |
| SMILES | CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)N(C)C.OP(=O)(O)O |
| InChIKey | YNHFWONNSNPYEW-UHFFFAOYSA-N |
The XLogP value of 3.9035 indicates that RefChem:436282 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:436282. Following Lipinski's Rule of Five, RefChem:436282 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:436282 is 14796-43-1.
The molecular formula of RefChem:436282 is C20H27N2O5PS.
The molecular weight of RefChem:436282 is 438.13782 g/mol.
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