22-Ene-25-oxavitamin D
TL;DR: 22-Ene-25-oxavitamin D (CAS 153364-87-5) is a chemical compound with molecular formula C28H44O4 and molecular weight 444.32397 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-[(E,2R)-5-(2-hydroxy-2-methylpropoxy)pent-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: 22-Ene-25-oxavitamin D, ZK 156979, (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5-(2-hydroxy-2-methylpropoxy)pent-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 | C28H44O4 |
| Molecular Weight | 444.32397 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.32397 Da |
| Heavy Atoms | 32 |
| Complexity | 761.0 |
| SMILES | C[C@H](/C=C/COCC(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 | UTQJAZIBQHXRAF-YPJMBWJDSA-N |
Chemical Property Profile of 22-Ene-25-oxavitamin D
Property Insights of 22-Ene-25-oxavitamin D
The XLogP value of 4.0 indicates that 22-Ene-25-oxavitamin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 22-Ene-25-oxavitamin D. Following Lipinski's Rule of Five, 22-Ene-25-oxavitamin D has 3 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 22-Ene-25-oxavitamin D?
The CAS number of 22-Ene-25-oxavitamin D is 153364-87-5.
What is the molecular formula of 22-Ene-25-oxavitamin D?
The molecular formula of 22-Ene-25-oxavitamin D is C28H44O4.
What is the molecular weight of 22-Ene-25-oxavitamin D?
The molecular weight of 22-Ene-25-oxavitamin D is 444.32397 g/mol.
Where can I buy 22-Ene-25-oxavitamin D?
You can request a quote for 22-Ene-25-oxavitamin D directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 22-Ene-25-oxavitamin D?
Yes, CoreyChem provides custom synthesis services for 22-Ene-25-oxavitamin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.