tacalcitol
TL;DR: tacalcitol (CAS 93129-94-3) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: tacalcitol, TACALCITOL MONOHYDRATE, (1R,3S,E)-5-(2-((1R,3aS,7aR,E)-, (1R,3S)-5-[2-[(1R,3aR,7aS)-1-[(2R,5S)-5-hydroxy-6-Methyl-heptan-2-yl]-7a-Methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-Methylidene-cyclohexane-1,3-diol, (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 5.5606 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 675.59564 |
Chemical Identifiers
| CAS Number | 93129-94-3 |
|---|---|
| SMILES | C[C@H](CC[C@@H](C(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 |
Product Overview
tacalcitol (CAS 93129-94-3), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of tacalcitol
Property Insights of tacalcitol
The XLogP value of 5.5606 indicates that tacalcitol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for tacalcitol. Following Lipinski's Rule of Five, tacalcitol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tacalcitol?
The CAS number of tacalcitol is 93129-94-3.
What is the molecular formula of tacalcitol?
The molecular formula of tacalcitol is C27H44O3.
What is the molecular weight of tacalcitol?
The molecular weight of tacalcitol is 416.33 g/mol.
Where can I buy tacalcitol?
You can request a quote for tacalcitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tacalcitol?
Yes, KEHONG BIO provides custom synthesis services for tacalcitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.