Maxacalcitol
TL;DR: Maxacalcitol (CAS 103909-75-7) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.30832 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: Maxacalcitol, 22-Oxacalcitriol, Maxacalcitol Impurity B, MC 1292, 5-[2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Technical Specifications
| Molecular Formula | C26H42O4 |
| Molecular Weight | 418.30832 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.30832 Da |
| Heavy Atoms | 30 |
| Complexity | 691.0 |
| SMILES | CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OCCC(C)(C)O |
| InChIKey | DTXXSJZBSTYZKE-UHFFFAOYSA-N |
Chemical Property Profile of Maxacalcitol
Property Insights of Maxacalcitol
The XLogP value of 3.5 indicates that Maxacalcitol 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 Maxacalcitol. Following Lipinski's Rule of Five, Maxacalcitol 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 Maxacalcitol?
The CAS number of Maxacalcitol is 103909-75-7.
What is the molecular formula of Maxacalcitol?
The molecular formula of Maxacalcitol is C26H42O4.
What is the molecular weight of Maxacalcitol?
The molecular weight of Maxacalcitol is 418.30832 g/mol.
Where can I buy Maxacalcitol?
You can request a quote for Maxacalcitol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Maxacalcitol?
Yes, CoreyChem provides custom synthesis services for Maxacalcitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.