(3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate
TL;DR: (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate (CAS 473672-92-3) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0008380, 3,3-Dimethyl-2-oxobutyl 2-(methylthio)nicotinate, (3,3-dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate, 3,3-dimethyl-2-oxobutyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.5755 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 451.79474 |
Chemical Identifiers
| CAS Number | 473672-92-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)COC(=O)C1=C(N=CC=C1)SC |
Product Overview
(3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate (CAS 473672-92-3), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: (3,3-dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate
Property Insights of (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate
The XLogP value of 2.5755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate. With a topological polar surface area (TPSA) of 56.26 Ų, (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,3-Dimethyl-2-oxobutyl) 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 (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate?
The CAS number of (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate is 473672-92-3.
What is the molecular formula of (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate?
The molecular formula of (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate is C13H17NO3S.
What is the molecular weight of (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate?
The molecular weight of (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate is 267.09 g/mol.
Where can I buy (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate?
You can request a quote for (3,3-Dimethyl-2-oxobutyl) 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 (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.