1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate
TL;DR: 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate (CAS 68764-30-7) is a chemical compound with molecular formula C13H21NO4S and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyl-2-tert-butylsulfanyl-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl) acetate
Also Known As: 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate, (1-acetyl-2-tert-butylsulfanyl-6-hydroxy-3,6-dihydro-2H-pyri, (1-acetyl-2-tert-butylsulfanyl-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl) acetate, RefChem:227293
| Molecular Formula | C13H21NO4S |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.11914 |
| Heavy Atoms | 19 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 68764-30-7 |
|---|---|
| SMILES | CC(=O)N1C(C=CC(C1SC(C)(C)C)OC(=O)C)O |
| InChIKey | SBBZSOZTDXYWKL-UHFFFAOYSA-N |
Product Overview
1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate (CAS 68764-30-7), with molecular formula C13H21NO4S and molecular weight 287.12 g/mol. IUPAC: (1-acetyl-2-tert-butylsulfanyl-6-hydroxy-3,6-dihydro-2H-pyridin-3-yl) acetate.
Chemical Property Profile of 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate
Property Insights of 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate. Following Lipinski's Rule of Five, 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate has 1 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-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate?
The CAS number of 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate is 68764-30-7.
What is the molecular formula of 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate?
The molecular formula of 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate is C13H21NO4S.
What is the molecular weight of 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate?
The molecular weight of 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate is 287.12 g/mol.
Where can I buy 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate?
You can request a quote for 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-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-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-2-(tert-butylsulfanyl)-6-hydroxy-1,2,3,6-tetrahydropyridin-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.