TL;DR: 1alpha,24S-Dihydroxyvitamin D2 (CAS 156316-85-7) is a chemical compound with molecular formula C28H44O3 and molecular weight 428.32904 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-[(E,2R,5S)-5-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: 1alpha,24S-Dihydroxyvitamin D2, 1alpha,24(S)-Dihydroxyergocalciferol, 1alpha,24(S)(OH)2D2, 1alpha,24-dihydroxyvitamin d2, LR 103 [WHO-DD]
| Molecular Formula | C28H44O3 |
| Molecular Weight | 428.32904 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.32904 Da |
| Heavy Atoms | 31 |
| Complexity | 760.0 |
| SMILES | C[C@H](/C=C/[C@](C)(C(C)C)O)[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 |
| InChIKey | ODZFJAXAEXQSKL-WRJREGAQSA-N |
The XLogP value of 5.1 indicates that 1alpha,24S-Dihydroxyvitamin D2 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 1alpha,24S-Dihydroxyvitamin D2. Following Lipinski's Rule of Five, 1alpha,24S-Dihydroxyvitamin D2 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1alpha,24S-Dihydroxyvitamin D2 is 156316-85-7.
The molecular formula of 1alpha,24S-Dihydroxyvitamin D2 is C28H44O3.
The molecular weight of 1alpha,24S-Dihydroxyvitamin D2 is 428.32904 g/mol.
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