TL;DR: C34H24Cu2N8O12S2.2H (CAS 116917-20-5) is a chemical compound with molecular formula C34H26Cu2N8O12S2 and molecular weight 927.97034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dicopper;azane;2-[[2-oxido-4-[3-oxido-4-[(2Z)-2-(2-oxido-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]diazenyl]-8-oxo-4-sulfo-7-[(4-sulfophenyl)hydrazinylidene]naphthalen-1-olate
Also Known As: Cuprate(2-), diammine(mu-(3-((4'-((2,4-dihydroxyphenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4,5-dihydroxy-6-((4-sulfophenyl)azo)-1-naphthalenesulfonato(6-)))di-, dihydrogen, Diammine(mu-(3-((4'-((2,4-dihydroxyphenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4,5-dihydroxy-6-((4-sulfophenyl)azo)-1-naphthalenesulfonato(6-)))dicuprate(2-) dihydrogen
| Molecular Formula | C34H26Cu2N8O12S2 |
| Molecular Weight | 927.97034 g/mol |
| XLogP | 2.6308 |
| Topological Polar Surface Area (TPSA) | 327.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 927.97034 Da |
| Heavy Atoms | 58 |
| Complexity | 1840.0 |
| SMILES | C1=CC(=CC=C1NN=C2C=CC3=C(C=C(C(=C3C2=O)[O-])N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N/N=C\6/C=CC(=O)C=C6[O-])[O-])[O-])S(=O)(=O)O)S(=O)(=O)O.N.N.[Cu+2].[Cu+2] |
| InChIKey | IGPCZIIQUNXIHU-IOOGCYMRSA-J |
The XLogP value of 2.6308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C34H24Cu2N8O12S2.2H. The TPSA of 327.0 Ų indicates high polarity, suggesting C34H24Cu2N8O12S2.2H may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C34H24Cu2N8O12S2.2H has 6 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C34H24Cu2N8O12S2.2H is 116917-20-5.
The molecular formula of C34H24Cu2N8O12S2.2H is C34H26Cu2N8O12S2.
The molecular weight of C34H24Cu2N8O12S2.2H is 927.97034 g/mol.
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