TL;DR: CTK4B5635 (CAS 127521-69-1) is a chemical compound with molecular formula C31H51NO8 and molecular weight 565.36145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5S,6R,7R,9R,15R,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Also Known As: 3,4'-Dideoxymycaminosyltylonolide, 3,4'-Dideoxymycaminosyl tylonolide, MC 352, 3,4'-Dideoxy-5O-mycaminosyltylonolide, 3-Deoxy-5-O-(3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)tylonolide
| Molecular Formula | C31H51NO8 |
| Molecular Weight | 565.36145 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 565.36145 Da |
| Heavy Atoms | 40 |
| Complexity | 887.0 |
| SMILES | CC[C@@H]1[C@H](C=C(C=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](CCC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)CC=O)C)C)CO |
| InChIKey | IBYMOKAONAMZRG-ADXSEDMUSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4B5635. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4B5635. Following Lipinski's Rule of Five, CTK4B5635 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CTK4B5635 is 127521-69-1.
The molecular formula of CTK4B5635 is C31H51NO8.
The molecular weight of CTK4B5635 is 565.36145 g/mol.
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