Calcitriol impurity 55
TL;DR: Calcitriol impurity 55 (CAS 157380-27-3) 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.
(1R,3S)-5-[(Z)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol
Also Known As: Calcitriol impurity 55, Calcitriol Impurity 62, J2.530.456J, (6Z)-(1S,3R,14R)-9,10-seco-5(10),6,8-cholestatriene-1,3,25-triol, 1alpha,25-dihydroxy-14-epiprevitamin D3 / 1alpha,25-dihydroxy-14-epiprecholecalciferol
Technical Specifications
| Molecular Formula | C27H44O3 |
| Molecular Weight | 416.32904 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.32904 Da |
| Heavy Atoms | 30 |
| Complexity | 701.0 |
| SMILES | CC1=C(C[C@H](C[C@@H]1O)O)/C=C\C2=CCC[C@]3([C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C |
| InChIKey | DOIZGAFWGREMOD-FTNBFKHKSA-N |
Chemical Property Profile of Calcitriol impurity 55
Property Insights of Calcitriol impurity 55
The XLogP value of 4.8 indicates that Calcitriol impurity 55 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 Calcitriol impurity 55. Following Lipinski's Rule of Five, Calcitriol impurity 55 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 Calcitriol impurity 55?
The CAS number of Calcitriol impurity 55 is 157380-27-3.
What is the molecular formula of Calcitriol impurity 55?
The molecular formula of Calcitriol impurity 55 is C27H44O3.
What is the molecular weight of Calcitriol impurity 55?
The molecular weight of Calcitriol impurity 55 is 416.32904 g/mol.
Where can I buy Calcitriol impurity 55?
You can request a quote for Calcitriol impurity 55 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calcitriol impurity 55?
Yes, CoreyChem provides custom synthesis services for Calcitriol impurity 55 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.