Inecalcitol
TL;DR: Inecalcitol (CAS 163217-09-2) is a chemical compound with molecular formula C26H40O3 and molecular weight 400.29776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-(1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Also Known As: Inecalcitol, Inecalcitol [INN], Inecalcitol oral, TX527 cpd, INECALCITOLUM
Technical Specifications
| Molecular Formula | C26H40O3 |
| Molecular Weight | 400.29776 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.29776 Da |
| Heavy Atoms | 29 |
| Complexity | 707.0 |
| SMILES | C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C |
| InChIKey | HHGRMHMXKPQNGF-WNSNRMDMSA-N |
Chemical Property Profile of Inecalcitol
Property Insights of Inecalcitol
The XLogP value of 4.4 indicates that Inecalcitol 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 Inecalcitol. Following Lipinski's Rule of Five, Inecalcitol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Inecalcitol?
The CAS number of Inecalcitol is 163217-09-2.
What is the molecular formula of Inecalcitol?
The molecular formula of Inecalcitol is C26H40O3.
What is the molecular weight of Inecalcitol?
The molecular weight of Inecalcitol is 400.29776 g/mol.
Where can I buy Inecalcitol?
You can request a quote for Inecalcitol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Inecalcitol?
Yes, CoreyChem provides custom synthesis services for Inecalcitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.