Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)-
TL;DR: Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)- (CAS 72973-01-4) is a chemical compound with molecular formula C24H30NO4PS and molecular weight 459.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,6R)-4-(2-diethoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol
Also Known As: Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)-, (2S,3R,4S,6R)-4-(2-diethoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol, (2S,3R,4S,6R)-4-(2-diethoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenyl-piperidin-4-ol, O,O-Diethyl S-{[(2S,3R,4S,6R)-4-hydroxy-3-methyl-2,6-diphenylpiperidin-4-yl]ethynyl} phosphorothioate, RefChem:371301
| Molecular Formula | C24H30NO4PS |
|---|---|
| Molecular Weight | 459.16 g/mol |
| LogP | 5.7047 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.16333 |
| Heavy Atoms | 31 |
| Complexity | 936.3017 |
Chemical Identifiers
| CAS Number | 72973-01-4 |
|---|---|
| SMILES | CCOP(=O)(OCC)SC#C[C@@]1(C[C@@H](N[C@@H]([C@H]1C)C2=CC=CC=C2)C3=CC=CC=C3)O |
Product Overview
Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)- (CAS 72973-01-4), with molecular formula C24H30NO4PS and molecular weight 459.16 g/mol. IUPAC: (2S,3R,4S,6R)-4-(2-diethoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)-
Property Insights of Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)-
The XLogP value of 5.7047 indicates that Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)-. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)-?
The CAS number of Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)- is 72973-01-4.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)-?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)- is C24H30NO4PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)-?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)- is 459.16 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)-?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-((4-hydroxy-3-methyl-2,6-diphenyl-4-piperidinyl)ethenyl) ester, (2-alpha,3-beta,4-alpha,6-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.