25-dehydro-1,25-dihydroxy-26-methylvitamin D3
TL;DR: 25-dehydro-1,25-dihydroxy-26-methylvitamin D3 (CAS 123000-44-2) 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-(1S,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-1-[(E,2R,6S)-6-hydroxy-6-methyloct-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: DDMVD, 25-Dehydro-1,25-dihydroxy-26-methylvitamin D3, (22E,25R)-22-Dehydro-1alpha,25-dihydroxy-26-methylvitamin D3, (22E,25S)-22-Dehydro-1alpha,25-dihydroxy-26-methylvitamin D3, (1S,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-1-[(E,2R,6S)-6-hydroxy-6-methyloct-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Technical Specifications
| 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 | 6 |
| Exact Mass | 428.32904 Da |
| Heavy Atoms | 31 |
| Complexity | 747.0 |
| SMILES | CC[C@@](C)(C/C=C/[C@@H](C)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C)O |
| InChIKey | RQYBOLUOBVMUJB-XQIUTWOCSA-N |
Chemical Property Profile of 25-dehydro-1,25-dihydroxy-26-methylvitamin D3
Property Insights of 25-dehydro-1,25-dihydroxy-26-methylvitamin D3
The XLogP value of 5.1 indicates that 25-dehydro-1,25-dihydroxy-26-methylvitamin 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 25-dehydro-1,25-dihydroxy-26-methylvitamin D3. Following Lipinski's Rule of Five, 25-dehydro-1,25-dihydroxy-26-methylvitamin D3 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 25-dehydro-1,25-dihydroxy-26-methylvitamin D3?
The CAS number of 25-dehydro-1,25-dihydroxy-26-methylvitamin D3 is 123000-44-2.
What is the molecular formula of 25-dehydro-1,25-dihydroxy-26-methylvitamin D3?
The molecular formula of 25-dehydro-1,25-dihydroxy-26-methylvitamin D3 is C28H44O3.
What is the molecular weight of 25-dehydro-1,25-dihydroxy-26-methylvitamin D3?
The molecular weight of 25-dehydro-1,25-dihydroxy-26-methylvitamin D3 is 428.32904 g/mol.
Where can I buy 25-dehydro-1,25-dihydroxy-26-methylvitamin D3?
You can request a quote for 25-dehydro-1,25-dihydroxy-26-methylvitamin D3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 25-dehydro-1,25-dihydroxy-26-methylvitamin D3?
Yes, CoreyChem provides custom synthesis services for 25-dehydro-1,25-dihydroxy-26-methylvitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.