2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine
TL;DR: 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine (CAS 18794-23-5) is a chemical compound with molecular formula C23H33NO3S2 and molecular weight 435.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-acetyl-3,6-bis(tert-butylsulfanyl)-4-phenyl-3,6-dihydro-2H-pyridin-2-yl] acetate
Also Known As: 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine, [1-acetyl-3,6-bis(tert-butylsulfanyl)-4-phenyl-3,6-dihydro-2H-pyridin-2-yl] acetate, 2-Pyridinol, 1-acetyl-3,6-bis(tert-butylthio)-1,2,3,6-tetrahydro-4-phenyl-, acetate (ester), 1-Acetyl-2-acetoxy-4-phenyl-3,6-di-t-butylmercapto-1,2,3,6-tetrahydropyridine, 1-Acetyl-3,6-bis(tert-butylsulfanyl)-4-phenyl-1,2,3,6-tetrahydro-2-pyridinyl acetate #
| Molecular Formula | C23H33NO3S2 |
|---|---|
| Molecular Weight | 435.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.1902 |
| Heavy Atoms | 29 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 18794-23-5 |
|---|---|
| SMILES | CC(=O)N1C(C=C(C(C1OC(=O)C)SC(C)(C)C)C2=CC=CC=C2)SC(C)(C)C |
| InChIKey | ZWFZFSUFGXNYAX-UHFFFAOYSA-N |
Product Overview
2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine (CAS 18794-23-5), with molecular formula C23H33NO3S2 and molecular weight 435.19 g/mol. IUPAC: [1-acetyl-3,6-bis(tert-butylsulfanyl)-4-phenyl-3,6-dihydro-2H-pyridin-2-yl] acetate.
Chemical Property Profile of 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine
Property Insights of 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine
The XLogP value of 4.6 indicates that 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine. Following Lipinski's Rule of Five, 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine?
The CAS number of 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine is 18794-23-5.
What is the molecular formula of 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine?
The molecular formula of 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine is C23H33NO3S2.
What is the molecular weight of 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine?
The molecular weight of 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine is 435.19 g/mol.
Where can I buy 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine?
You can request a quote for 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-4-phenyl-1,2,3,6-tetrahydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.