1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3
TL;DR: 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3 (CAS 104211-73-6) is a chemical compound with molecular formula C29H46O3 and molecular weight 442.3447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-(1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(E,2R)-6-hydroxy-5,5,6-trimethylhept-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: Doh-DM-D3, 1,25-Dihydroxy-24,24-dimethyl-22-dehydrovitamin D3, (1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(E,2R)-6-hydroxy-5,5,6-trimethylhept-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 | C29H46O3 |
| Molecular Weight | 442.3447 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.3447 Da |
| Heavy Atoms | 32 |
| Complexity | 799.0 |
| SMILES | C[C@H](/C=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 | GCSPQHJHCMOZGJ-XDTVPYGMSA-N |
Chemical Property Profile of 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3
Property Insights of 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3
The XLogP value of 5.5 indicates that 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin 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 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3. Following Lipinski's Rule of Five, 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin 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 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3?
The CAS number of 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3 is 104211-73-6.
What is the molecular formula of 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3?
The molecular formula of 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3 is C29H46O3.
What is the molecular weight of 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3?
The molecular weight of 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3 is 442.3447 g/mol.
Where can I buy 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3?
You can request a quote for 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3?
Yes, CoreyChem provides custom synthesis services for 1,25-dihydroxy-24,24-dimethyl-22-dehydrovitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.