22-Thiacholesterol
TL;DR: 22-Thiacholesterol (CAS 94156-75-9) is a chemical compound with molecular formula C26H44OS and molecular weight 404.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-(3-methylbutylsulfanyl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 22-Thiacholesterol, (20r)-22-thiacholesterol, 20-[(3-Methylbutyl)sulfanyl]pregn-5-en-3-ol, (20R)-20-[(3-Methylbutyl)sulfanyl]pregn-5-en-3beta-ol, (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-(3-methylbutylsulfanyl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C26H44OS |
|---|---|
| Molecular Weight | 404.31 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.31128 |
| Heavy Atoms | 28 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 94156-75-9 |
|---|---|
| SMILES | C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)SCCC(C)C |
| InChIKey | LHCQLAFJKZXZJJ-XSLNCIIRSA-N |
Product Overview
22-Thiacholesterol (CAS 94156-75-9), with molecular formula C26H44OS and molecular weight 404.31 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-(3-methylbutylsulfanyl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 22-Thiacholesterol
Property Insights of 22-Thiacholesterol
The XLogP value of 7.6 indicates that 22-Thiacholesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 22-Thiacholesterol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 22-Thiacholesterol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 22-Thiacholesterol?
The CAS number of 22-Thiacholesterol is 94156-75-9.
What is the molecular formula of 22-Thiacholesterol?
The molecular formula of 22-Thiacholesterol is C26H44OS.
What is the molecular weight of 22-Thiacholesterol?
The molecular weight of 22-Thiacholesterol is 404.31 g/mol.
Where can I buy 22-Thiacholesterol?
You can request a quote for 22-Thiacholesterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22-Thiacholesterol?
Yes, KEHONG BIO provides custom synthesis services for 22-Thiacholesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.