Paricalcitol
TL;DR: Paricalcitol (CAS 131918-61-1) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.32904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Also Known As: Paricalcitol, Zemplar, (1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol, (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3Z,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}cyclohexane-1,3-diol
Technical Specifications
| Molecular Formula | C27H44O3 |
| Molecular Weight | 416.32904 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.32904 Da |
| Heavy Atoms | 30 |
| Complexity | 676.0 |
| SMILES | C[C@H](C=C[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C[C@@H](C3)O)O)C |
| InChIKey | BPKAHTKRCLCHEA-FOPGHSPUSA-N |
Chemical Property Profile of Paricalcitol
Property Insights of Paricalcitol
The XLogP value of 5.0 indicates that Paricalcitol 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 Paricalcitol. Following Lipinski's Rule of Five, Paricalcitol 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 Paricalcitol?
The CAS number of Paricalcitol is 131918-61-1.
What is the molecular formula of Paricalcitol?
The molecular formula of Paricalcitol is C27H44O3.
What is the molecular weight of Paricalcitol?
The molecular weight of Paricalcitol is 416.32904 g/mol.
Where can I buy Paricalcitol?
You can request a quote for Paricalcitol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Paricalcitol?
Yes, CoreyChem provides custom synthesis services for Paricalcitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.