(1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate
TL;DR: (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate (CAS 18833-89-1) is a chemical compound with molecular formula C17H27NO5S and molecular weight 357.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate
Also Known As: (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate, 1-Acetyl-3-(tert-butylthio)-1,2,3,6-tetrahydro-3,5-dimethyl-2,6-pyridinediol diacetate, 2,6-Pyridinediol, 1-acetyl-3-(tert-butylthio)-1,2,3,6-tetrahydro-3,5-dimethyl-, diacetate (ester), 2,6-Pyridinediol, 1-acetyl-3-[(1,1-dimethylethyl)thio]-1,2,3,6-tetrahydro-3,5-dimethyl-, diacetate (ester), 1-Acetyl-6-(acetyloxy)-3-(tert-butylsulfanyl)-3,5-dimethyl-1,2,3,6-tetrahydro-2-pyridinyl acetate #
| Molecular Formula | C17H27NO5S |
|---|---|
| Molecular Weight | 357.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.16098 |
| Heavy Atoms | 24 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 18833-89-1 |
|---|---|
| SMILES | CC1=CC(C(N(C1OC(=O)C)C(=O)C)OC(=O)C)(C)SC(C)(C)C |
| InChIKey | VWMMEGKZVFLPDO-UHFFFAOYSA-N |
Product Overview
(1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate (CAS 18833-89-1), with molecular formula C17H27NO5S and molecular weight 357.16 g/mol. IUPAC: (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate.
Chemical Property Profile of (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate
Property Insights of (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate. Following Lipinski's Rule of Five, (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate has 0 hydrogen bond donor(s) and 6 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-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate?
The CAS number of (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate is 18833-89-1.
What is the molecular formula of (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate?
The molecular formula of (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate is C17H27NO5S.
What is the molecular weight of (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate?
The molecular weight of (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate is 357.16 g/mol.
Where can I buy (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate?
You can request a quote for (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-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-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (1-acetyl-6-acetyloxy-5-tert-butylsulfanyl-3,5-dimethyl-2,6-dihydropyridin-2-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.