TL;DR: Acetamide, N-(9-(4-(pentylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate (CAS 53222-04-1) is a chemical compound with molecular formula C27H32N4O6S2 and molecular weight 572.17633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-acetamidoacridin-9-yl)-[4-(pentylsulfonylamino)phenyl]azanium;methanesulfonate
Also Known As: Acetamide, N-(9-((4-((pentylsulfonyl)amino)phenyl)amino)-3-acridinyl)-, methanesulfonate, ACETAMIDE, N-(9-(4-(PENTYLSULFONAMIDO)ANILINO)ACRIDIN-3-YL)-, METHANESULFONATE, N-(9-(4-(Pentylsulfonamido)anilino)acridin-3-yl)acetamide methanesulfonate, (3-acetamidoacridin-9-yl)-[4-(pentylsulfonylamino)phenyl]azanium;methanesulfonate, (3-acetamidoacridin-9-yl)-[4-(pentylsulfonylamino)phenyl]azanium,methanesulfonate
| Molecular Formula | C27H32N4O6S2 |
| Molecular Weight | 572.17633 g/mol |
| XLogP | 3.97 |
| Topological Polar Surface Area (TPSA) | 179.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 572.17633 Da |
| Heavy Atoms | 39 |
| Complexity | 842.0 |
| SMILES | CCCCCS(=O)(=O)NC1=CC=C(C=C1)[NH2+]C2=C3C=CC(=CC3=NC4=CC=CC=C42)NC(=O)C.CS(=O)(=O)[O-] |
| InChIKey | AZBGYYQKZPJVFP-UHFFFAOYSA-N |
The XLogP value of 3.97 indicates that Acetamide, N-(9-(4-(pentylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting Acetamide, N-(9-(4-(pentylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetamide, N-(9-(4-(pentylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Acetamide, N-(9-(4-(pentylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate is 53222-04-1.
The molecular formula of Acetamide, N-(9-(4-(pentylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate is C27H32N4O6S2.
The molecular weight of Acetamide, N-(9-(4-(pentylsulfonamido)anilino)acridin-3-yl)-, methanesulfonate is 572.17633 g/mol.
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