3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole
TL;DR: 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole (CAS 315708-02-2) is a chemical compound with molecular formula C16H16N2OS and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole
Also Known As: SDCCGSBI-0660486.P001, 3,5-dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole, F1174-0157, AF-399/15335209, 3,5-dimethyl-4-[(4-methyl-2-quinolylthio)methyl]isoxazole
| Molecular Formula | C16H16N2OS |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.09833 |
| Heavy Atoms | 20 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 315708-02-2 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=CC=C12)SCC3=C(ON=C3C)C |
| InChIKey | BLXVKEMHSWUZEB-UHFFFAOYSA-N |
Product Overview
3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole (CAS 315708-02-2), with molecular formula C16H16N2OS and molecular weight 284.10 g/mol. IUPAC: 3,5-dimethyl-4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2-oxazole.
Chemical Property Profile of 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole
Property Insights of 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole
The XLogP value of 4.1 indicates that 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole 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 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole?
The CAS number of 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole is 315708-02-2.
What is the molecular formula of 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole?
The molecular formula of 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole is C16H16N2OS.
What is the molecular weight of 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole?
The molecular weight of 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole is 284.10 g/mol.
Where can I buy 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole?
You can request a quote for 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.