TL;DR: Morpholine, 4,4',4''-[2-chloro-1-(dichloromethylene)-1-propanyl-3-ylidene]tris- (CAS 68318-38-7) is a chemical compound with molecular formula C16H26Cl3N3O3 and molecular weight 413.10397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,1,3-trichloro-4,4-dimorpholin-4-ylbut-1-en-2-yl)morpholine
Also Known As: KST-1B7589, 1,1,3-Trichloro-2,4,4-tris(4-morpholino)-1-butene, Morpholine, 4,4',4''-[2-chloro-1-(dichloromethylene)-1-propanyl-3-ylidene]tris-, 4,4',4''-[2-chloro-1- propan-1-yl-3-ylidene]trismorpholine, Morpholine, 4,4',4''-(2-chloro-1-(dichloromethylene)-1-propanyl-3-ylidene)tris-
| Molecular Formula | C16H26Cl3N3O3 |
| Molecular Weight | 413.10397 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.10397 Da |
| Heavy Atoms | 25 |
| Complexity | 429.0 |
| SMILES | C1COCCN1C(C(C(=C(Cl)Cl)N2CCOCC2)Cl)N3CCOCC3 |
| InChIKey | YVWFFAAZXOIGDJ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholine, 4,4',4''-[2-chloro-1-(dichloromethylene)-1-propanyl-3-ylidene]tris-. With a topological polar surface area (TPSA) of 37.4 Ų, Morpholine, 4,4',4''-[2-chloro-1-(dichloromethylene)-1-propanyl-3-ylidene]tris- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morpholine, 4,4',4''-[2-chloro-1-(dichloromethylene)-1-propanyl-3-ylidene]tris- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Morpholine, 4,4',4''-[2-chloro-1-(dichloromethylene)-1-propanyl-3-ylidene]tris- is 68318-38-7.
The molecular formula of Morpholine, 4,4',4''-[2-chloro-1-(dichloromethylene)-1-propanyl-3-ylidene]tris- is C16H26Cl3N3O3.
The molecular weight of Morpholine, 4,4',4''-[2-chloro-1-(dichloromethylene)-1-propanyl-3-ylidene]tris- is 413.10397 g/mol.
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