TL;DR: 1,4-Naphthoquinone, 2,2'-(sulfonylbis(p-phenyleneimino))bis(3-chloro- (CAS 6937-70-8) is a chemical compound with molecular formula C32H18Cl2N2O6S and molecular weight 628.02625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-[4-[4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl]sulfonylanilino]naphthalene-1,4-dione
Also Known As: 4-14-00-00410 (Beilstein Handbook Reference), 1,4-NAPHTHOQUINONE, 2,2'-(SULFONYLBIS(p-PHENYLENEIMINO))BIS(3-CHLORO-, J1.513.298A, 2,2'-(Sulfonylbis(p-phenyleneimino))bis(3-chloro-1,4-naphthoquinone), 2,2'-[Sulfonylbis(4,1-phenyleneimino)]bis(3-chloronaphthoquinone)
| Molecular Formula | C32H18Cl2N2O6S |
| Molecular Weight | 628.02625 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 628.02625 Da |
| Heavy Atoms | 43 |
| Complexity | 1260.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl |
| InChIKey | PUJNJVCNZLKFBQ-UHFFFAOYSA-N |
The XLogP value of 7.0 indicates that 1,4-Naphthoquinone, 2,2'-(sulfonylbis(p-phenyleneimino))bis(3-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthoquinone, 2,2'-(sulfonylbis(p-phenyleneimino))bis(3-chloro-. Following Lipinski's Rule of Five, 1,4-Naphthoquinone, 2,2'-(sulfonylbis(p-phenyleneimino))bis(3-chloro- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,4-Naphthoquinone, 2,2'-(sulfonylbis(p-phenyleneimino))bis(3-chloro- is 6937-70-8.
The molecular formula of 1,4-Naphthoquinone, 2,2'-(sulfonylbis(p-phenyleneimino))bis(3-chloro- is C32H18Cl2N2O6S.
The molecular weight of 1,4-Naphthoquinone, 2,2'-(sulfonylbis(p-phenyleneimino))bis(3-chloro- is 628.02625 g/mol.
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