TL;DR: RefChem:306396 (CAS 32781-74-1) is a chemical compound with molecular formula C22H18Br4N4O9S2 and molecular weight 861.72485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2,3-dibromopropanoylamino)-3-[[5-(2,3-dibromopropanoylamino)-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Also Known As: 6-(2,3-Dibromopropionamido)-3-((5-(2,3-dibromopropionamido)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid, 2-Naphthalenesulfonicacid,6-[(2,3-dibromo-1-oxopropyl)amino]-3-[2-[5-[(2,3-dibromo-1-oxopropyl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, 6- -3-[[5- -2-sulphophenyl]azo]-4-hydroxynaphthalene-2-sulphonicacid, 6-[(2,3-Dibromo-1-oxopropyl)amino]-3-[2-[5-[(2,3-dibromo-1-oxopropyl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-2-naphthalenesulfonic acid, (3E)-6-(2,3-dibromopropanoylamino)-3-[[5-(2,3-dibromopropanoylamino)-2-sulfophenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid
| Molecular Formula | C22H18Br4N4O9S2 |
| Molecular Weight | 861.72485 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 229.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 865.72076 Da |
| Heavy Atoms | 41 |
| Complexity | 1180.0 |
| SMILES | C1=CC(=CC2=C(C(=C(C=C21)S(=O)(=O)O)N=NC3=C(C=CC(=C3)NC(=O)C(CBr)Br)S(=O)(=O)O)O)NC(=O)C(CBr)Br |
| InChIKey | ZHHMGDPDMMBKAG-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that RefChem:306396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 229.0 Ų indicates high polarity, suggesting RefChem:306396 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:306396 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:306396 is 32781-74-1.
The molecular formula of RefChem:306396 is C22H18Br4N4O9S2.
The molecular weight of RefChem:306396 is 861.72485 g/mol.
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