TL;DR: Cibacron Brilliant Red 3B-A (CAS 16480-43-6) is a chemical compound with molecular formula C32H23ClN8O14S4 and molecular weight 905.99054 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzamido-3-[[5-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Also Known As: Reactive Red 4, Cibacron Brilliant Red 3B-A, Procion reactive red 4, Cibaron Brillant Red 3B-A, Cibaron Brilliant Red 3B-A
| Molecular Formula | C32H23ClN8O14S4 |
| Molecular Weight | 905.99054 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 388.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 905.99054 Da |
| Heavy Atoms | 59 |
| Complexity | 1950.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C=CC(=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | ZWONWYNZSWOYQC-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Cibacron Brilliant Red 3B-A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 388.0 Ų indicates high polarity, suggesting Cibacron Brilliant Red 3B-A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cibacron Brilliant Red 3B-A has 8 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cibacron Brilliant Red 3B-A is 16480-43-6.
The molecular formula of Cibacron Brilliant Red 3B-A is C32H23ClN8O14S4.
The molecular weight of Cibacron Brilliant Red 3B-A is 905.99054 g/mol.
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