Vitamin D3 sulfoconjugate
TL;DR: Vitamin D3 sulfoconjugate (CAS 78392-27-5) is a chemical compound with molecular formula C27H44O4S and molecular weight 464.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] hydrogen sulfate
Also Known As: Vitamin D3 sulfoconjugate, Vitamin D3 Sulfate Sodium Salt, [3-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] hydrogen sulfate
| Molecular Formula | C27H44O4S |
|---|---|
| Molecular Weight | 464.30 g/mol |
| LogP | 7.4461 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.29602 |
| Heavy Atoms | 32 |
| Complexity | 837.71765 |
Chemical Identifiers
| CAS Number | 78392-27-5 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)OS(=O)(=O)O)C |
Product Overview
Vitamin D3 sulfoconjugate (CAS 78392-27-5), with molecular formula C27H44O4S and molecular weight 464.30 g/mol. IUPAC: [3-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] hydrogen sulfate.
Chemical Property Profile of Vitamin D3 sulfoconjugate
Property Insights of Vitamin D3 sulfoconjugate
The XLogP value of 7.4461 indicates that Vitamin D3 sulfoconjugate 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 D3 sulfoconjugate. Following Lipinski's Rule of Five, Vitamin D3 sulfoconjugate 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 D3 sulfoconjugate?
The CAS number of Vitamin D3 sulfoconjugate is 78392-27-5.
What is the molecular formula of Vitamin D3 sulfoconjugate?
The molecular formula of Vitamin D3 sulfoconjugate is C27H44O4S.
What is the molecular weight of Vitamin D3 sulfoconjugate?
The molecular weight of Vitamin D3 sulfoconjugate is 464.30 g/mol.
Where can I buy Vitamin D3 sulfoconjugate?
You can request a quote for Vitamin D3 sulfoconjugate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vitamin D3 sulfoconjugate?
Yes, KEHONG BIO provides custom synthesis services for Vitamin D3 sulfoconjugate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.