5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol
TL;DR: 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol (CAS 133586-84-2) is a chemical compound with molecular formula C28H46O2S2 and molecular weight 478.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5S,11S,13S,14S,17R,18R)-5-hydroxy-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione
Also Known As: 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol, 3beta-Hydroxy-5alpha-chloestano(6alpha,5-d)',3'-oxathiolane-2'-thione, 3-beta-Hydroxy-5-alpha-cholestano(6-alpha,5-d)',3'-oxathiolane-2'-thione, Cholestan-3-ol, 5,6-(oxycarbonothioylthio)-, (3-beta,5-alpha,6-alpha)-, Cholestan-3-ol, 5,6-(oxycarbonothioylthio)-, (3beta,5alpha,6alpha)-
| Molecular Formula | C28H46O2S2 |
|---|---|
| Molecular Weight | 478.29 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.2939 |
| Heavy Atoms | 32 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 133586-84-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4C5([C@@]3(CC[C@@H](C5)O)C)OC(=S)S4)C |
| InChIKey | PGXAFQKHVUAHMP-XJSUPXGWSA-N |
Product Overview
5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol (CAS 133586-84-2), with molecular formula C28H46O2S2 and molecular weight 478.29 g/mol. IUPAC: (1S,2R,5S,11S,13S,14S,17R,18R)-5-hydroxy-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8-oxa-10-thiapentacyclo[11.7.0.02,7.07,11.014,18]icosane-9-thione.
Chemical Property Profile of 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol
Property Insights of 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol
The XLogP value of 9.5 indicates that 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol. Following Lipinski's Rule of Five, 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol?
The CAS number of 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol is 133586-84-2.
What is the molecular formula of 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol?
The molecular formula of 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol is C28H46O2S2.
What is the molecular weight of 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol?
The molecular weight of 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol is 478.29 g/mol.
Where can I buy 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol?
You can request a quote for 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-alpha,6-alpha-(Oxycarbonothioylthio)cholestan-3-beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.