TL;DR: Disodium 4,10-dibromodibenzo[def,mno]chrysene-6,12-diyl bis(sulphate) (CAS 110622-75-8) is a chemical compound with molecular formula C22H8Br2Na2O8S2 and molecular weight 667.7823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;(9,18-dibromo-22-sulfonatooxy-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl) sulfate
Also Known As: phenethyl 2-hydroxy-2-methylpropanoate, Disodium 4,10-dibromodibenzo(def,mno)chrysene-6,12-diyl bis(sulphate), Disodium 4,10-dibromodibenzo[def,mno]chrysene-6,12-diyl bis(sulphate), disodium 4,10-dibromonaphtho[7,8,1,2,3-nopqr]tetraphene-6,12-diyl disulfate, Disodium 4,10-dibromodibenzo(def,mno)chrysene-6,12-diylbis(sulphate)
| Molecular Formula | C22H8Br2Na2O8S2 |
| Molecular Weight | 667.7823 g/mol |
| XLogP | -0.4608 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 667.7823 Da |
| Heavy Atoms | 36 |
| Complexity | 918.0 |
| SMILES | C1=CC2=C3C(=C1)C(=C4C=C(C5=C6C4=C3C(=C(C6=CC=C5)OS(=O)(=O)[O-])C=C2Br)Br)OS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | FQRHOYWBIFGUAP-UHFFFAOYSA-L |
The XLogP value of -0.4608 indicates that Disodium 4,10-dibromodibenzo[def,mno]chrysene-6,12-diyl bis(sulphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting Disodium 4,10-dibromodibenzo[def,mno]chrysene-6,12-diyl bis(sulphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disodium 4,10-dibromodibenzo[def,mno]chrysene-6,12-diyl bis(sulphate) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Disodium 4,10-dibromodibenzo[def,mno]chrysene-6,12-diyl bis(sulphate) is 110622-75-8.
The molecular formula of Disodium 4,10-dibromodibenzo[def,mno]chrysene-6,12-diyl bis(sulphate) is C22H8Br2Na2O8S2.
The molecular weight of Disodium 4,10-dibromodibenzo[def,mno]chrysene-6,12-diyl bis(sulphate) is 667.7823 g/mol.
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