TL;DR: CGP 20712A methanesulfonate (CAS 105737-62-0) is a chemical compound with molecular formula C24H29F3N4O8S and molecular weight 590.16583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide;methanesulfonic acid
Also Known As: CGP 20712A methanesulfonate, CGP 20712 A, CGP 20712A, CGP-20712A, CGP-20712A methanesulfonate salt
| Molecular Formula | C24H29F3N4O8S |
| Molecular Weight | 590.16583 g/mol |
| XLogP | 1.8227 |
| Topological Polar Surface Area (TPSA) | 195.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 590.16583 Da |
| Heavy Atoms | 40 |
| Complexity | 758.0 |
| SMILES | CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F.CS(=O)(=O)O |
| InChIKey | VFPOVCXWKBYDNF-UHFFFAOYSA-N |
The XLogP value of 1.8227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CGP 20712A methanesulfonate. The TPSA of 195.0 Ų indicates high polarity, suggesting CGP 20712A methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CGP 20712A methanesulfonate has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CGP 20712A methanesulfonate is 105737-62-0.
The molecular formula of CGP 20712A methanesulfonate is C24H29F3N4O8S.
The molecular weight of CGP 20712A methanesulfonate is 590.16583 g/mol.
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