TL;DR: (23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol (CAS 122619-92-5) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32397 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,4R)-4,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: (23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol, (5Z,7E)-(1S,3R,23R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,23,25-tetrol, (23R)-1alpha,23,25-trihydroxyvitamin D3/(23R)-1alpha,23,25-trihydroxycholecalciferol, (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,3R)-3,5-Dihydroxy-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol, (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,4R)-4,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
| Molecular Formula | C27H44O4 |
| Molecular Weight | 432.32397 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.32397 Da |
| Heavy Atoms | 31 |
| Complexity | 721.0 |
| SMILES | C[C@H](C[C@H](CC(C)(C)O)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 | NHRGJVVEKNHIIE-PTNHXQMASA-N |
The XLogP value of 3.9 indicates that (23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol. Following Lipinski's Rule of Five, (23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol is 122619-92-5.
The molecular formula of (23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol is C27H44O4.
The molecular weight of (23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol is 432.32397 g/mol.
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