TL;DR: Oxonole Blue dipotassium salt (CAS 51858-17-4) is a chemical compound with molecular formula C22H31NO2 and molecular weight 341.23547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(5S)-2-cyano-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Oxonole Blue dipotassium salt, [(5S)-2-cyano-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C22H31NO2 |
| Molecular Weight | 341.23547 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.23547 Da |
| Heavy Atoms | 25 |
| Complexity | 658.0 |
| SMILES | CC(=O)OC1CCC2C1(CCC3C2CC[C@@H]4C3(CC(=CC4)C#N)C)C |
| InChIKey | ULASRWHCGMEOFO-CFUZRYPRSA-N |
The XLogP value of 5.1 indicates that Oxonole Blue dipotassium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Oxonole Blue dipotassium salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxonole Blue dipotassium salt has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Oxonole Blue dipotassium salt is 51858-17-4.
The molecular formula of Oxonole Blue dipotassium salt is C22H31NO2.
The molecular weight of Oxonole Blue dipotassium salt is 341.23547 g/mol.
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