TL;DR: DA 125 (CAS 140637-82-7) is a chemical compound with molecular formula C30H33ClFNO13 and molecular weight 669.1625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(2S,4S)-4-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 3-aminopropanoate;hydrochloride
Also Known As: Galarubicin hydrochloride, Galarubicinhydrochloride, DA 125, 637G827, 7-O-(2,6-Dideoxy-2-fluoro-alpha-talopyranosyl)adriamycinone-14-beta-alaniate hydrochloride
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C30H33ClFNO13 |
| Molecular Weight | 669.1625 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 232.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 669.1625 Da |
| Heavy Atoms | 46 |
| Complexity | 1160.0 |
| SMILES | C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)CCN)O)F)O)O.Cl |
| InChIKey | PISPJMVXLMWWNB-ZZBYHBTRSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DA 125. The TPSA of 232.0 Ų indicates high polarity, suggesting DA 125 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DA 125 has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DA 125 is 140637-82-7.
The molecular formula of DA 125 is C30H33ClFNO13.
The molecular weight of DA 125 is 669.1625 g/mol.
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