1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate
TL;DR: 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate (CAS 18833-88-0) is a chemical compound with molecular formula C11H17NO3S2 and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-acetyl-3,6-bis(methylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate
Also Known As: 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate, [1-acetyl-3,6-bis(methylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate, 2-Acetoxy-1-acetyl-3,6-di(methylthio)-1,2,3,6-tetrahydropyridine, 2-Pyridinol, 1-acetyl-1,2,3,6-tetrahydro-3,6-bis(methylthio)-, acetate (ester), 1-Acetyl-1,2,3,6-tetrahydro-3,6-bis(methylthio)-2-pyridinol acetate
| Molecular Formula | C11H17NO3S2 |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.06497 |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 18833-88-0 |
|---|---|
| SMILES | CC(=O)N1C(C=CC(C1OC(=O)C)SC)SC |
| InChIKey | XAZHRGHFTLBESJ-UHFFFAOYSA-N |
Product Overview
1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate (CAS 18833-88-0), with molecular formula C11H17NO3S2 and molecular weight 275.06 g/mol. IUPAC: [1-acetyl-3,6-bis(methylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate.
Chemical Property Profile of 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate
Property Insights of 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate. Following Lipinski's Rule of Five, 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl 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(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate?
The CAS number of 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate is 18833-88-0.
What is the molecular formula of 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate?
The molecular formula of 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate is C11H17NO3S2.
What is the molecular weight of 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate?
The molecular weight of 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate is 275.06 g/mol.
Where can I buy 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate?
You can request a quote for 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl 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(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-3,6-bis(methylsulfanyl)-1,2,3,6-tetrahydro-2-pyridinyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.