TL;DR: CTK4B9646 (CAS 135086-52-1) is a chemical compound with molecular formula C23H35NO12 and molecular weight 517.21594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2,2-dimethyl-4-[(2S,3S,4S,5S,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]-1,3-oxazolidine-3-carboxylate
Also Known As: beta-L-Ribopyranose, 5-C-(3-((1,1-dimethylethoxy)carbonyl)-2,2-dimethyl-4-oxazolidinyl)-, 1,2,3,4-tetraacetate, (5R(R))-, Tert-butyl 2,2-dimethyl-4-(3,4,5,6-tetraacetyloxyoxan-2-yl)-1,3-oxazolidine-3-carboxylate, (5S)-1,2,3,4-Tetra-O-acetyl-5-[3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidin-4-yl]-beta-L-ribopyranose, (R)-2,2-Dimethyl-4-((2R,3S,4S,5S,6R)-3,4,5,6-tetraacetoxy-tetrahydro-pyran-2-yl)-oxazolidine-3-carboxylic acid tert-butyl ester, 1,2,3,4-Tetra-O-acetyl-5-[3-(tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidin-4-yl]pentopyranose
| Molecular Formula | C23H35NO12 |
| Molecular Weight | 517.21594 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 517.21594 Da |
| Heavy Atoms | 36 |
| Complexity | 879.0 |
| SMILES | CC(=O)O[C@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)OC(=O)C)C2COC(N2C(=O)OC(C)(C)C)(C)C)OC(=O)C |
| InChIKey | UDTRPXMJFSGKFO-BJJJHMPVSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4B9646. The TPSA of 153.0 Ų indicates high polarity, suggesting CTK4B9646 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4B9646 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CTK4B9646 is 135086-52-1.
The molecular formula of CTK4B9646 is C23H35NO12.
The molecular weight of CTK4B9646 is 517.21594 g/mol.
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