Calcipotriol
TL;DR: Calcipotriol (CAS 112965-21-6) is a chemical compound with molecular formula C27H40O3 and molecular weight 412.29776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-[1-(5-cyclopropyl-5-hydroxypent-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: Calcipotriol, calcipotriene, Daivonex, 24R-Calcipotriol, Calciptriol
Technical Specifications
| Molecular Formula | C27H40O3 |
| Molecular Weight | 412.29776 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.29776 Da |
| Heavy Atoms | 30 |
| Complexity | 743.0 |
| SMILES | CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C |
| InChIKey | LWQQLNNNIPYSNX-UHFFFAOYSA-N |
Chemical Property Profile of Calcipotriol
Property Insights of Calcipotriol
The XLogP value of 4.3 indicates that Calcipotriol 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 Calcipotriol. Following Lipinski's Rule of Five, Calcipotriol 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 Calcipotriol?
The CAS number of Calcipotriol is 112965-21-6.
What is the molecular formula of Calcipotriol?
The molecular formula of Calcipotriol is C27H40O3.
What is the molecular weight of Calcipotriol?
The molecular weight of Calcipotriol is 412.29776 g/mol.
Where can I buy Calcipotriol?
You can request a quote for Calcipotriol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calcipotriol?
Yes, CoreyChem provides custom synthesis services for Calcipotriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.