TL;DR: albaspidin-AP (CAS 101913-80-8) is a chemical compound with molecular formula C9H7Cl4F8NO3 and molecular weight 468.90524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,7-dichloro-2,6-bis[chloro(difluoro)methyl]-1,1,7,7-tetrafluoro-4-hydroxyiminoheptane-2,6-diol
Also Known As: albaspidin-AP, ALBASPIDIN AP, NCI60_020919, 4-Heptanone, 2,6-bis(chlorodifluoromethyl)-1,7-dichloro-2,6-dihydroxy-1,1,7,7-tetrafluoro-, oxime, 1,7-dichloro-2,6-bis[chloro(difluoro)methyl]-1,1,7,7-tetrafluoro-4-hydroxyiminoheptane-2,6-diol
| Molecular Formula | C9H7Cl4F8NO3 |
| Molecular Weight | 468.90524 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.90228 Da |
| Heavy Atoms | 25 |
| Complexity | 463.0 |
| SMILES | C(C(=NO)CC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O |
| InChIKey | RFBJFEPPFAZMQR-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that albaspidin-AP is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for albaspidin-AP. Following Lipinski's Rule of Five, albaspidin-AP has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of albaspidin-AP is 101913-80-8.
The molecular formula of albaspidin-AP is C9H7Cl4F8NO3.
The molecular weight of albaspidin-AP is 468.90524 g/mol.
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