1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate
TL;DR: 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate (CAS 31579-82-5) is a chemical compound with molecular formula C14H21NO3S and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyl-3-tert-butylsulfanyl-4-methylidene-2,3-dihydropyridin-2-yl) acetate
Also Known As: 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate, (1-acetyl-3-tert-butylsulfanyl-4-methylidene-2,3-dihydropyridin-2-yl) acetate, 1-Acetyl-2-acetoxy-3-t-butylthio-4-methylen-1,2,3,4-tetrahydropyridin, (1-acetyl-3-tert-butylsulfanyl-4-methylene-2,3-dihydropyridin-2-yl) acetate, 1-Acetyl-3-(tert-butylsulfanyl)-4-methylidene-1,2,3,4-tetrahydropyridin-2-yl acetate
| Molecular Formula | C14H21NO3S |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.1242 |
| Heavy Atoms | 19 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 31579-82-5 |
|---|---|
| SMILES | CC(=O)N1C=CC(=C)C(C1OC(=O)C)SC(C)(C)C |
| InChIKey | LSIDFOQNYZCLGQ-UHFFFAOYSA-N |
Product Overview
1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate (CAS 31579-82-5), with molecular formula C14H21NO3S and molecular weight 283.12 g/mol. IUPAC: (1-acetyl-3-tert-butylsulfanyl-4-methylidene-2,3-dihydropyridin-2-yl) acetate.
Chemical Property Profile of 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate
Property Insights of 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate. Following Lipinski's Rule of Five, 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate has 0 hydrogen bond donor(s) and 4 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-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate?
The CAS number of 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate is 31579-82-5.
What is the molecular formula of 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate?
The molecular formula of 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate is C14H21NO3S.
What is the molecular weight of 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate?
The molecular weight of 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate is 283.12 g/mol.
Where can I buy 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate?
You can request a quote for 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-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-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-3-(tert-butylthio)-4-methylene-1,2,3,4-tetrahydro-2-pyridinyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.