![[2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate structure](/static/products/3804/380486-79-3.webp)
[2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
TL;DR: [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate (CAS 380486-79-3) is a chemical compound with molecular formula C19H26N2O3S and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate, 2-oxo-2-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}ethyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C19H26N2O3S |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 3.3875 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.1664 |
| Heavy Atoms | 25 |
| Complexity | 691.0017 |
Chemical Identifiers
| CAS Number | 380486-79-3 |
|---|---|
| SMILES | CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=C(N=CC=C3)SC)C)C |
Product Overview
[2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate (CAS 380486-79-3), with molecular formula C19H26N2O3S and molecular weight 362.17 g/mol. IUPAC: [2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
Property Insights of [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
The XLogP value of 3.3875 indicates that [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.5 Ų, [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate 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 [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate?
The CAS number of [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate is 380486-79-3.
What is the molecular formula of [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate?
The molecular formula of [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate is C19H26N2O3S.
What is the molecular weight of [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate?
The molecular weight of [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate is 362.17 g/mol.
Where can I buy [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate?
You can request a quote for [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.