TL;DR: 24,24-Difluoro-24-homo-1,25-dihydroxyvitamin D3 (CAS 115540-42-6) is a chemical compound with molecular formula C28H44F2O3 and molecular weight 466.32587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-(1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-(6,6-difluoro-7-hydroxy-7-methyloctan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: 24,24-DFHDC, 24aF2-Homo-1,25(OH)2D3, 23-Oxotetracosansaeure-methylester, 24,24-Difluoro-24-homo-1,25-dihydroxyvitamin D3, 24a-Homo-24,24-difluoro-1alpha,25-dihydroxyvitamin D3
| Molecular Formula | C28H44F2O3 |
| Molecular Weight | 466.32587 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.32587 Da |
| Heavy Atoms | 33 |
| Complexity | 784.0 |
| SMILES | CC(CCCC(C(C)(C)O)(F)F)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C |
| InChIKey | BYSQJLGAMANIHA-DISCJWLBSA-N |
The XLogP value of 5.7 indicates that 24,24-Difluoro-24-homo-1,25-dihydroxyvitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 24,24-Difluoro-24-homo-1,25-dihydroxyvitamin D3. Following Lipinski's Rule of Five, 24,24-Difluoro-24-homo-1,25-dihydroxyvitamin D3 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 24,24-Difluoro-24-homo-1,25-dihydroxyvitamin D3 is 115540-42-6.
The molecular formula of 24,24-Difluoro-24-homo-1,25-dihydroxyvitamin D3 is C28H44F2O3.
The molecular weight of 24,24-Difluoro-24-homo-1,25-dihydroxyvitamin D3 is 466.32587 g/mol.
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