TL;DR: 3,3'-Dichlorobenzidine diethyl malonate hydrazone (CAS 103124-60-3) is a chemical compound with molecular formula C26H28Cl2N4O8 and molecular weight 594.1284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-[[2-chloro-4-[3-chloro-4-[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanedioate
Also Known As: 3,3'-Dichlorobenzidine diethyl malonate hydrazone, PROPANEDIOIC ACID, 2,2'-((3,3'-DICHLORO(1,1'-BIPHENYL)-4,4'-DIYL)DI-2-HYDRAZINYL-1-YLIDENE)BIS-, TETRAETHYL ESTER, diethyl 2-[[2-chloro-4-[3-chloro-4-[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanedioate, Tetraethyl 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)di(hydrazin-2-yl-1-ylidene)]dipropanedioate, CCRIS 2274
| Molecular Formula | C26H28Cl2N4O8 |
| Molecular Weight | 594.1284 g/mol |
| XLogP | 8.4 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 594.1284 Da |
| Heavy Atoms | 40 |
| Complexity | 834.0 |
| SMILES | CCOC(=O)C(=NNC1=C(C=C(C=C1)C2=CC(=C(C=C2)NN=C(C(=O)OCC)C(=O)OCC)Cl)Cl)C(=O)OCC |
| InChIKey | IAENMCZHYXTLTE-UHFFFAOYSA-N |
The XLogP value of 8.4 indicates that 3,3'-Dichlorobenzidine diethyl malonate hydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting 3,3'-Dichlorobenzidine diethyl malonate hydrazone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-Dichlorobenzidine diethyl malonate hydrazone has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,3'-Dichlorobenzidine diethyl malonate hydrazone is 103124-60-3.
The molecular formula of 3,3'-Dichlorobenzidine diethyl malonate hydrazone is C26H28Cl2N4O8.
The molecular weight of 3,3'-Dichlorobenzidine diethyl malonate hydrazone is 594.1284 g/mol.
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