1,24,25,26-Tetrahydroxyergocalciferol
TL;DR: 1,24,25,26-Tetrahydroxyergocalciferol (CAS 1033076-71-9) is a chemical compound with molecular formula C28H44O5 and molecular weight 460.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,3R,6R)-6-[(1R,3aS,4Z,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-1,2,3-triol
Also Known As: 1,24,25,26-Tetrahydroxyergocalciferol, 1,24,25,26-Tetrahydroxyvitamin D2, 4-(pyrrolidin-1-ylcarbonyl)-1H-pyrazole, 3-(4-Chlorophenyl)-2-methylprop-2-en-1-ol, (E,3R,6R)-6-[(1R,3aS,4Z,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-1,2,3-triol
| Molecular Formula | C28H44O5 |
|---|---|
| Molecular Weight | 460.32 g/mol |
| LogP | 3.814 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.31888 |
| Heavy Atoms | 33 |
| Complexity | 820.14435 |
Chemical Identifiers
| CAS Number | 1033076-71-9 |
|---|---|
| SMILES | C[C@H](/C=C/[C@](C)(C(C)(CO)O)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
1,24,25,26-Tetrahydroxyergocalciferol (CAS 1033076-71-9), with molecular formula C28H44O5 and molecular weight 460.32 g/mol. IUPAC: (E,3R,6R)-6-[(1R,3aS,4Z,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-1,2,3-triol.
Chemical Property Profile of 1,24,25,26-Tetrahydroxyergocalciferol
Property Insights of 1,24,25,26-Tetrahydroxyergocalciferol
The XLogP value of 3.814 indicates that 1,24,25,26-Tetrahydroxyergocalciferol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,24,25,26-Tetrahydroxyergocalciferol. Following Lipinski's Rule of Five, 1,24,25,26-Tetrahydroxyergocalciferol has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,24,25,26-Tetrahydroxyergocalciferol?
The CAS number of 1,24,25,26-Tetrahydroxyergocalciferol is 1033076-71-9.
What is the molecular formula of 1,24,25,26-Tetrahydroxyergocalciferol?
The molecular formula of 1,24,25,26-Tetrahydroxyergocalciferol is C28H44O5.
What is the molecular weight of 1,24,25,26-Tetrahydroxyergocalciferol?
The molecular weight of 1,24,25,26-Tetrahydroxyergocalciferol is 460.32 g/mol.
Where can I buy 1,24,25,26-Tetrahydroxyergocalciferol?
You can request a quote for 1,24,25,26-Tetrahydroxyergocalciferol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,24,25,26-Tetrahydroxyergocalciferol?
Yes, KEHONG BIO provides custom synthesis services for 1,24,25,26-Tetrahydroxyergocalciferol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.