TL;DR: 8-ethoxy-1-N,1-N,3-N,3-N,6-N,6-N-hexamethylpyrene-1,3,6-trisulfonamide (CAS 127070-69-3) is a chemical compound with molecular formula C24H29N3O7S3 and molecular weight 567.11676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-ethoxy-1-N,1-N,3-N,3-N,6-N,6-N-hexamethylpyrene-1,3,6-trisulfonamide
Also Known As: 8-Ethoxypyrene-1,3,6-tris(dimethylsulfonamide), HY-D0095, B261, B 261, 8-ethoxy-1-N,1-N,3-N,3-N,6-N,6-N-hexamethylpyrene-1,3,6-trisulfonamide
| Molecular Formula | C24H29N3O7S3 |
| Molecular Weight | 567.11676 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 567.11676 Da |
| Heavy Atoms | 37 |
| Complexity | 1150.0 |
| SMILES | CCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)N(C)C)S(=O)(=O)N(C)C)S(=O)(=O)N(C)C |
| InChIKey | ZZBMLCMOOSUCTA-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-ethoxy-1-N,1-N,3-N,3-N,6-N,6-N-hexamethylpyrene-1,3,6-trisulfonamide. The TPSA of 147.0 Ų indicates high polarity, suggesting 8-ethoxy-1-N,1-N,3-N,3-N,6-N,6-N-hexamethylpyrene-1,3,6-trisulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-ethoxy-1-N,1-N,3-N,3-N,6-N,6-N-hexamethylpyrene-1,3,6-trisulfonamide has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-ethoxy-1-N,1-N,3-N,3-N,6-N,6-N-hexamethylpyrene-1,3,6-trisulfonamide is 127070-69-3.
The molecular formula of 8-ethoxy-1-N,1-N,3-N,3-N,6-N,6-N-hexamethylpyrene-1,3,6-trisulfonamide is C24H29N3O7S3.
The molecular weight of 8-ethoxy-1-N,1-N,3-N,3-N,6-N,6-N-hexamethylpyrene-1,3,6-trisulfonamide is 567.11676 g/mol.
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