(3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate
TL;DR: (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate (CAS 556030-17-2) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0003482, (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate, (dimethyl-1,2-oxazol-4-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate, (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.76534 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 575.8243 |
Chemical Identifiers
| CAS Number | 556030-17-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
(3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate (CAS 556030-17-2), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate
Property Insights of (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate
The XLogP value of 2.76534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate 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 (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate?
The CAS number of (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate is 556030-17-2.
What is the molecular formula of (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate?
The molecular formula of (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate is C13H14N2O3S.
What is the molecular weight of (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate?
The molecular weight of (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate is 278.07 g/mol.
Where can I buy (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate?
You can request a quote for (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dimethylisoxazol-4-yl)methyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.