TL;DR: (17E)-17-[(2E)-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}hydrazinylidene]estra-1,3,5(10)-trien-3-ol (CAS 1192739-44-8) is a chemical compound with molecular formula C33H32F4N2O3 and molecular weight 580.2349 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(17E)-17-[(E)-[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methylidenehydrazinylidene]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
Also Known As: (17E)-17-[(2E)-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}hydrazinylidene]estra-1,3,5(10)-trien-3-ol, (17E)-17-[(E)-[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methylidenehydrazinylidene]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol, 4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzaldehyde [3-hydroxyestra-1,3,5(10)-trien-17-ylidene]hydrazone
| Molecular Formula | C33H32F4N2O3 |
| Molecular Weight | 580.2349 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 580.2349 Da |
| Heavy Atoms | 42 |
| Complexity | 986.0 |
| SMILES | CC1\2CCC3C(C1CC/C2=N\N=C\C4=CC(=C(C=C4)OC)COC5=C(C(=CC(=C5F)F)F)F)CCC6=C3C=CC(=C6)O |
| InChIKey | AYBWPKYDULKECL-WECOVKLASA-N |
The XLogP value of 6.9 indicates that (17E)-17-[(2E)-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}hydrazinylidene]estra-1,3,5(10)-trien-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (17E)-17-[(2E)-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}hydrazinylidene]estra-1,3,5(10)-trien-3-ol. Following Lipinski's Rule of Five, (17E)-17-[(2E)-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}hydrazinylidene]estra-1,3,5(10)-trien-3-ol has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (17E)-17-[(2E)-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}hydrazinylidene]estra-1,3,5(10)-trien-3-ol is 1192739-44-8.
The molecular formula of (17E)-17-[(2E)-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}hydrazinylidene]estra-1,3,5(10)-trien-3-ol is C33H32F4N2O3.
The molecular weight of (17E)-17-[(2E)-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]benzylidene}hydrazinylidene]estra-1,3,5(10)-trien-3-ol is 580.2349 g/mol.
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