TL;DR: 26-Homo-1,25-dihydroxyvitamin D3 (CAS 105687-81-8) is a chemical compound with molecular formula C28H46O3 and molecular weight 430.3447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-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: 26-Homo-1,25-dihydroxyvitamin D3, (5Z,7E)-(1S,3R)-26-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol, 1alpha,25-dihydroxy-26-methylvitamin D3 / 1alpha,25-dihydroxy-26-methylcholecalciferol, (5Z,7E)-26-Methyl-9,10-secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol, (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyloctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
| Molecular Formula | C28H46O3 |
| Molecular Weight | 430.3447 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.3447 Da |
| Heavy Atoms | 31 |
| Complexity | 707.0 |
| SMILES | CCC(C)(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O |
| InChIKey | QRBVGIIEIQPZJM-WMNGALOESA-N |
The XLogP value of 5.6 indicates that 26-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 26-Homo-1,25-dihydroxyvitamin D3. Following Lipinski's Rule of Five, 26-Homo-1,25-dihydroxyvitamin D3 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 26-Homo-1,25-dihydroxyvitamin D3 is 105687-81-8.
The molecular formula of 26-Homo-1,25-dihydroxyvitamin D3 is C28H46O3.
The molecular weight of 26-Homo-1,25-dihydroxyvitamin D3 is 430.3447 g/mol.
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