![[1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate structure](/static/products/1879/18794-20-2.webp)
[1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate
TL;DR: [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate (CAS 18794-20-2) is a chemical compound with molecular formula C17H29NO3S2 and molecular weight 359.16 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)-3,6-dihydro-2H-pyridin-2-yl] acetate
Also Known As: [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate|2-Acetoxy-1-acetyl-3,6-di(tert-butylthio)-1,2,3,6-tetrahydropyridine|2-Pyridinol, 1-acetyl-3,6-bis(tert-butylthio)-1,2,3,6-tetrahydro-, acetate (ester)|1-Acetyl-2-acetoxy-3,6-di-t-butylmercapto-1,2,3,6-tetrahydropyridine|1-Acetyl-3,6-bis(tert-butylthio)-1,2,3,6-tetrahydropyridin-2-ol acetate|1-Acetyl-3,6-bis(tert-butylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate #|1-acetyl-3,6-bis(tert-butylsulfanyl)-1,2,3,6-tetrahydropyridin-2-yl acetate|2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-1,2,3,6-TETRAHYDRO-PYRIDINE|IOHLVQTYRUVVRZ-UHFFFAOYSA-N
| Molecular Formula | C17H29NO3S2 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.15887 |
| Heavy Atoms | 23 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 18794-20-2 |
|---|---|
| SMILES | CC(=O)N1C(C=CC(C1OC(=O)C)SC(C)(C)C)SC(C)(C)C |
| InChIKey | IOHLVQTYRUVVRZ-UHFFFAOYSA-N |
Product Overview
[1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate (CAS 18794-20-2), with molecular formula C17H29NO3S2 and molecular weight 359.16 g/mol. IUPAC: [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate.
Chemical Property Profile of [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate
Property Insights of [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate
The XLogP value of 3.4 indicates that [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate 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 [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate. Following Lipinski's Rule of Five, [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate 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 [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate?
The CAS number of [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate is 18794-20-2.
What is the molecular formula of [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate?
The molecular formula of [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate is C17H29NO3S2.
What is the molecular weight of [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate?
The molecular weight of [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate is 359.16 g/mol.
Where can I buy [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate?
You can request a quote for [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.