Vitamin D2 sulfate
TL;DR: Vitamin D2 sulfate (CAS 1784-46-9) is a chemical compound with molecular formula C28H44O4S and molecular weight 476.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] hydrogen sulfate
Also Known As: Vitamin D2 sulfate, Vitamin D2 3beta sulfate, Ergocalciferol hydrogen sulfate, Vitamin D2 Sulfate Sodium Salt, vitamin D2 3 beta sulfate
| Molecular Formula | C28H44O4S |
|---|---|
| Molecular Weight | 476.30 g/mol |
| LogP | 7.4681 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.29602 |
| Heavy Atoms | 33 |
| Complexity | 910.1819 |
Chemical Identifiers
| CAS Number | 1784-46-9 |
|---|---|
| SMILES | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)OS(=O)(=O)O)C |
Product Overview
Vitamin D2 sulfate (CAS 1784-46-9), with molecular formula C28H44O4S and molecular weight 476.30 g/mol. IUPAC: [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] hydrogen sulfate.
Chemical Property Profile of Vitamin D2 sulfate
Property Insights of Vitamin D2 sulfate
The XLogP value of 7.4681 indicates that Vitamin D2 sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Vitamin D2 sulfate. Following Lipinski's Rule of Five, Vitamin D2 sulfate has 1 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 Vitamin D2 sulfate?
The CAS number of Vitamin D2 sulfate is 1784-46-9.
What is the molecular formula of Vitamin D2 sulfate?
The molecular formula of Vitamin D2 sulfate is C28H44O4S.
What is the molecular weight of Vitamin D2 sulfate?
The molecular weight of Vitamin D2 sulfate is 476.30 g/mol.
Where can I buy Vitamin D2 sulfate?
You can request a quote for Vitamin D2 sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vitamin D2 sulfate?
Yes, KEHONG BIO provides custom synthesis services for Vitamin D2 sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.