TL;DR: KST-1A1609 (CAS 15223-99-1) is a chemical compound with molecular formula C45H35N5O8 and molecular weight 773.24854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(6-benzoylimino-3-benzylpurin-7-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
Also Known As: KST-1A1609, (6z)-6-(benzoylimino)-3-benzyl-7-(2,3,5-tri-o-benzoylpentofuranosyl)-6,7-dihydro-3h-purine, [5-(6-benzoylimino-3-benzylpurin-7-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate, (6Z)-N-Benzoyl-3-benzyl-7-(2,3,5-tri-O-benzoylpentofuranosyl)-3,7-dihydro-6H-purin-6-imine
| Molecular Formula | C45H35N5O8 |
| Molecular Weight | 773.24854 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 773.24854 Da |
| Heavy Atoms | 58 |
| Complexity | 1480.0 |
| SMILES | C1=CC=C(C=C1)CN2C=NC(=NC(=O)C3=CC=CC=C3)C4=C2N=CN4C5C(C(C(O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8 |
| InChIKey | MNFXFHQEIPIJKV-UHFFFAOYSA-N |
The XLogP value of 7.4 indicates that KST-1A1609 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting KST-1A1609 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1A1609 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of KST-1A1609 is 15223-99-1.
The molecular formula of KST-1A1609 is C45H35N5O8.
The molecular weight of KST-1A1609 is 773.24854 g/mol.
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