Calcitriol Impurity 25
TL;DR: Calcitriol Impurity 25 (CAS 134523-84-5) 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,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-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: calcitriol, Calcitriol Impurity 25, 20-epi-Calcitriol, 1ie9, 20-epi-1alpha,25(OH)2D3
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 5.7047 |
| 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 | 682.712 |
Chemical Identifiers
| CAS Number | 134523-84-5 |
|---|---|
| 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[C@@H](C3=C)O)O)C |
Product Overview
Calcitriol Impurity 25 (CAS 134523-84-5), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-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 Calcitriol Impurity 25
Property Insights of Calcitriol Impurity 25
The XLogP value of 5.7047 indicates that Calcitriol Impurity 25 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 Calcitriol Impurity 25. Following Lipinski's Rule of Five, Calcitriol Impurity 25 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 Calcitriol Impurity 25?
The CAS number of Calcitriol Impurity 25 is 134523-84-5.
What is the molecular formula of Calcitriol Impurity 25?
The molecular formula of Calcitriol Impurity 25 is C27H44O3.
What is the molecular weight of Calcitriol Impurity 25?
The molecular weight of Calcitriol Impurity 25 is 416.33 g/mol.
Where can I buy Calcitriol Impurity 25?
You can request a quote for Calcitriol Impurity 25 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcitriol Impurity 25?
Yes, KEHONG BIO provides custom synthesis services for Calcitriol Impurity 25 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.