TL;DR: Disulfide, bis(2-((4-(2,5-xylyloxy)butyl)amino)ethyl)-, dihydrochloride (CAS 38920-78-4) is a chemical compound with molecular formula C28H46Cl2N2O2S2 and molecular weight 576.2378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,5-dimethylphenoxy)butyl-[2-[2-[4-(2,5-dimethylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride
Also Known As: Bis-2-((4-(2,5-xylyloxy)butyl)amino)ethyldisulfide dihydrochloride, N,N'-Dithiodiethylenebis(4-(2,5-xylyloxy)butylamine) dihydrochloride, Butylamine, N,N'-dithiodiethylenebis(4-(2,5-xylyloxy)-, dihydrochloride, DISULFIDE, BIS(2-((4-(2,5-XYLYLOXY)BUTYL)AMINO)ETHYL)-, DIHYDROCHLORIDE, 1-Butanamine, N,N'-(dithiodi-2,1-ethanediyl)bis[4-(2,5-dimethylphenoxy)-, dihydrochloride
| Molecular Formula | C28H46Cl2N2O2S2 |
| Molecular Weight | 576.2378 g/mol |
| XLogP | -1.55 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Exact Mass | 576.2378 Da |
| Heavy Atoms | 36 |
| Complexity | 443.0 |
| SMILES | CC1=CC(=C(C=C1)C)OCCCC[NH2+]CCSSCC[NH2+]CCCCOC2=C(C=CC(=C2)C)C.[Cl-].[Cl-] |
| InChIKey | GPOFMBIKPSQYQC-UHFFFAOYSA-N |
The XLogP value of -1.55 indicates that Disulfide, bis(2-((4-(2,5-xylyloxy)butyl)amino)ethyl)-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Disulfide, bis(2-((4-(2,5-xylyloxy)butyl)amino)ethyl)-, dihydrochloride. Following Lipinski's Rule of Five, Disulfide, bis(2-((4-(2,5-xylyloxy)butyl)amino)ethyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Disulfide, bis(2-((4-(2,5-xylyloxy)butyl)amino)ethyl)-, dihydrochloride is 38920-78-4.
The molecular formula of Disulfide, bis(2-((4-(2,5-xylyloxy)butyl)amino)ethyl)-, dihydrochloride is C28H46Cl2N2O2S2.
The molecular weight of Disulfide, bis(2-((4-(2,5-xylyloxy)butyl)amino)ethyl)-, dihydrochloride is 576.2378 g/mol.
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