TL;DR: Dansylglutamyl-glycyl-arginine chloromethyl ketone (CAS 69024-84-6) is a chemical compound with molecular formula C26H36ClN7O7S and molecular weight 625.20856 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-5-[[2-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]amino]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentanoic acid
Also Known As: Dggacmk, Dansyl-ggack, EGRck, Dansyl-Glu-Gly-Arg-Chloromethylketone, Degr-CK
| Molecular Formula | C26H36ClN7O7S |
| Molecular Weight | 625.20856 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 235.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 625.20856 Da |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)CCl |
| InChIKey | LDMSFLLWFAFZAF-OALUTQOASA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dansylglutamyl-glycyl-arginine chloromethyl ketone. The TPSA of 235.0 Ų indicates high polarity, suggesting Dansylglutamyl-glycyl-arginine chloromethyl ketone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dansylglutamyl-glycyl-arginine chloromethyl ketone has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dansylglutamyl-glycyl-arginine chloromethyl ketone is 69024-84-6.
The molecular formula of Dansylglutamyl-glycyl-arginine chloromethyl ketone is C26H36ClN7O7S.
The molecular weight of Dansylglutamyl-glycyl-arginine chloromethyl ketone is 625.20856 g/mol.
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