3,3-Ethylenedithio-4-cholestene
TL;DR: 3,3-Ethylenedithio-4-cholestene (CAS 280571-25-7) is a chemical compound with molecular formula C29H48S2 and molecular weight 460.32 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)spiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dithiolane]
Also Known As: 3,3-Ethylenedithio-4-cholestene, 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dithiolane], 10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dithiolane], 9a,11a-Dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dithiolane]
| Molecular Formula | C29H48S2 |
|---|---|
| Molecular Weight | 460.32 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.31973 |
| Heavy Atoms | 31 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 280571-25-7 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC5(CCC34C)SCCS5)C |
| InChIKey | ZVQGNXVEMQLIQF-UHFFFAOYSA-N |
Product Overview
3,3-Ethylenedithio-4-cholestene (CAS 280571-25-7), with molecular formula C29H48S2 and molecular weight 460.32 g/mol. IUPAC: 10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dithiolane].
Chemical Property Profile of 3,3-Ethylenedithio-4-cholestene
Property Insights of 3,3-Ethylenedithio-4-cholestene
The XLogP value of 10.3 indicates that 3,3-Ethylenedithio-4-cholestene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 3,3-Ethylenedithio-4-cholestene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Ethylenedithio-4-cholestene has 0 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 3,3-Ethylenedithio-4-cholestene?
The CAS number of 3,3-Ethylenedithio-4-cholestene is 280571-25-7.
What is the molecular formula of 3,3-Ethylenedithio-4-cholestene?
The molecular formula of 3,3-Ethylenedithio-4-cholestene is C29H48S2.
What is the molecular weight of 3,3-Ethylenedithio-4-cholestene?
The molecular weight of 3,3-Ethylenedithio-4-cholestene is 460.32 g/mol.
Where can I buy 3,3-Ethylenedithio-4-cholestene?
You can request a quote for 3,3-Ethylenedithio-4-cholestene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Ethylenedithio-4-cholestene?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Ethylenedithio-4-cholestene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.