Thiocholesterol
TL;DR: Thiocholesterol (CAS 125604-84-4) is a chemical compound with molecular formula C27H46S and molecular weight 402.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-thiol
Also Known As: Thiocholesterol, Cholesteryl mercaptan, Cholest-5-ene-3-thiol, Fmoc-His(Trt)-OPfp, 5-Cholestene-3beta-thiol
| Molecular Formula | C27H46S |
|---|---|
| Molecular Weight | 402.33 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.33203 |
| Heavy Atoms | 28 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 125604-84-4 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)S)C)C |
| InChIKey | QGVQZRDQPDLHHV-UHFFFAOYSA-N |
Product Overview
Thiocholesterol (CAS 125604-84-4), with molecular formula C27H46S and molecular weight 402.33 g/mol. IUPAC: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-thiol.
Chemical Property Profile of Thiocholesterol
Property Insights of Thiocholesterol
The XLogP value of 9.5 indicates that Thiocholesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, Thiocholesterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocholesterol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiocholesterol?
The CAS number of Thiocholesterol is 125604-84-4.
What is the molecular formula of Thiocholesterol?
The molecular formula of Thiocholesterol is C27H46S.
What is the molecular weight of Thiocholesterol?
The molecular weight of Thiocholesterol is 402.33 g/mol.
Where can I buy Thiocholesterol?
You can request a quote for Thiocholesterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocholesterol?
Yes, KEHONG BIO provides custom synthesis services for Thiocholesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.