3-Hydroxycholestan-6-yl sulfate
TL;DR: 3-Hydroxycholestan-6-yl sulfate (CAS 141677-59-0) is a chemical compound with molecular formula C27H48NaO5S and molecular weight 507.312 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 3-OH-Cholest-6-SO4, 3-Hydroxycholestan-6-yl sulfate, 3-hydroxycholestan-6-ylsulfate, 3-Hydroxycholestan-6-yl sulfate, monosodium salt, 3beta-Hydroxy-5alpha-cholestan-6alpha-yl sulfate
Technical Specifications
| Molecular Formula | C27H48NaO5S |
| Molecular Weight | 507.312 g/mol |
| XLogP | 5.8857 |
| Topological Polar Surface Area (TPSA) | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.312 Da |
| Heavy Atoms | 34 |
| Complexity | 791.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)OS(=O)(=O)O)C.[Na] |
| InChIKey | PJYBMXLGEQDGDW-KDYNESQISA-N |
Chemical Property Profile of 3-Hydroxycholestan-6-yl sulfate
Property Insights of 3-Hydroxycholestan-6-yl sulfate
The XLogP value of 5.8857 indicates that 3-Hydroxycholestan-6-yl sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxycholestan-6-yl sulfate. Following Lipinski's Rule of Five, 3-Hydroxycholestan-6-yl sulfate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Hydroxycholestan-6-yl sulfate?
The CAS number of 3-Hydroxycholestan-6-yl sulfate is 141677-59-0.
What is the molecular formula of 3-Hydroxycholestan-6-yl sulfate?
The molecular formula of 3-Hydroxycholestan-6-yl sulfate is C27H48NaO5S.
What is the molecular weight of 3-Hydroxycholestan-6-yl sulfate?
The molecular weight of 3-Hydroxycholestan-6-yl sulfate is 507.312 g/mol.
Where can I buy 3-Hydroxycholestan-6-yl sulfate?
You can request a quote for 3-Hydroxycholestan-6-yl sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxycholestan-6-yl sulfate?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxycholestan-6-yl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.