(22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol
TL;DR: (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol (CAS 101558-90-1) is a chemical compound with molecular formula C27H42O4 and molecular weight 430.30832 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,6S)-6,7-dihydroxy-6-methylhept-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: (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol, (5Z,7E,22E)-(1S,3R,25S)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25,26-tetrol, (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,6S)-6,7-dihydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, (1R,3S,5Z)-5-[(2Z)-2-[(1R,3aS,7aR)-1-[(E,2R,6S)-6,7-dihydrox
Technical Specifications
| Molecular Formula | C27H42O4 |
| Molecular Weight | 430.30832 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.30832 Da |
| Heavy Atoms | 31 |
| Complexity | 750.0 |
| SMILES | C[C@H](/C=C/C[C@@](C)(CO)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 | JYHXCOMHKCOBKF-NIIDVMHZSA-N |
Chemical Property Profile of (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol
Property Insights of (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol
The XLogP value of 3.5 indicates that (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol 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 (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol. Following Lipinski's Rule of Five, (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol?
The CAS number of (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol is 101558-90-1.
What is the molecular formula of (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol?
The molecular formula of (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol is C27H42O4.
What is the molecular weight of (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol?
The molecular weight of (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol is 430.30832 g/mol.
Where can I buy (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol?
You can request a quote for (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol?
Yes, CoreyChem provides custom synthesis services for (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(25S)-1alpha,25,26-trihydroxy-22,23-didehydrocholecalciferol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.