Eldecalcitol
TL;DR: Eldecalcitol (CAS 158689-03-3) is a chemical compound with molecular formula C30H50O5 and molecular weight 490.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
Also Known As: Eldecalcitol, Eldecalcitol Impurity 9, Eldecalcitol Impurity 68, Idicalciferol impurity EDC-L, J2.672.681F
| Molecular Formula | C30H50O5 |
|---|---|
| Molecular Weight | 490.37 g/mol |
| LogP | 5.0822 |
| Topological Polar Surface Area | 90.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 490.3658 |
| Heavy Atoms | 35 |
| Complexity | 778.10657 |
Chemical Identifiers
| CAS Number | 158689-03-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@H](C3=C)O)OCCCO)O)C |
Product Overview
Eldecalcitol (CAS 158689-03-3), with molecular formula C30H50O5 and molecular weight 490.37 g/mol. IUPAC: (1R,2R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of Eldecalcitol
Property Insights of Eldecalcitol
The XLogP value of 5.0822 indicates that Eldecalcitol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Eldecalcitol. Following Lipinski's Rule of Five, Eldecalcitol has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eldecalcitol?
The CAS number of Eldecalcitol is 158689-03-3.
What is the molecular formula of Eldecalcitol?
The molecular formula of Eldecalcitol is C30H50O5.
What is the molecular weight of Eldecalcitol?
The molecular weight of Eldecalcitol is 490.37 g/mol.
Where can I buy Eldecalcitol?
You can request a quote for Eldecalcitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eldecalcitol?
Yes, KEHONG BIO provides custom synthesis services for Eldecalcitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.