![3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole structure](/static/products/6711/671199-86-3.webp)
3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole
TL;DR: 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole (CAS 671199-86-3) is a chemical compound with molecular formula C16H14N4OS2 and molecular weight 342.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanylmethyl]-1,2-oxazole
Also Known As: 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole, 3,5-dimethyl-4-[[(5-phenyl-3-thiazolo[2,3-c][1,2,4]triazolyl)thio]methyl]isoxazole, 3,5-dimethyl-4-[({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)methyl]-1,2-oxazole, 3,5-dimethyl-4-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanylmethyl]-1,2-oxazole, 3-{[(3,5-dimethylisoxazol-4-yl)methyl]thio}-5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazole
| Molecular Formula | C16H14N4OS2 |
|---|---|
| Molecular Weight | 342.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.0609 |
| Heavy Atoms | 23 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 671199-86-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4 |
| InChIKey | WJBUHJLXIFDVAR-UHFFFAOYSA-N |
Product Overview
3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole (CAS 671199-86-3), with molecular formula C16H14N4OS2 and molecular weight 342.06 g/mol. IUPAC: 3,5-dimethyl-4-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanylmethyl]-1,2-oxazole.
Chemical Property Profile of 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole
Property Insights of 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole
The XLogP value of 4.5 indicates that 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole. Following Lipinski's Rule of Five, 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole 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-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole?
The CAS number of 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole is 671199-86-3.
What is the molecular formula of 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole?
The molecular formula of 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole is C16H14N4OS2.
What is the molecular weight of 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole?
The molecular weight of 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole is 342.06 g/mol.
Where can I buy 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole?
You can request a quote for 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-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-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl-4-(((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)methyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.