TL;DR: Vinfosiltine (CAS 123286-00-0) is a chemical compound with molecular formula C51H72N5O10P and molecular weight 945.5017 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 13-[10-[(1-diethoxyphosphoryl-2-methylpropyl)carbamoyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Also Known As: Vinfosiltine, Vinfosiltine sulfate, Methyl 9-(3-{[1-(diethoxyphosphoryl)-2-methylpropyl]carbamoyl}-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl)-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate
| Molecular Formula | C51H72N5O10P |
| Molecular Weight | 945.5017 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 945.5017 Da |
| Heavy Atoms | 67 |
| Complexity | 1920.0 |
| SMILES | CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NC(C(C)C)P(=O)(OCC)OCC)O)O)CC)OC)C(=O)OC)O |
| InChIKey | BOELCLFVOBIXIF-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that Vinfosiltine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting Vinfosiltine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vinfosiltine has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Vinfosiltine is 123286-00-0.
The molecular formula of Vinfosiltine is C51H72N5O10P.
The molecular weight of Vinfosiltine is 945.5017 g/mol.
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