RefChem:305219
TL;DR: RefChem:305219 (CAS 116786-76-6) is a chemical compound with molecular formula C17H10N4O4S and molecular weight 366.04227 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzodioxol-5-yl)-6-phenyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione
Also Known As: 5H-1,3,4-Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,3-benzodioxol-5-yl)-6-phenyl-, 2-(1,3-Benzodioxol-5-yl)-6-phenyl-5H-1,3,4-thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(1,3-benzodioxol-5-yl)-6-phenyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione, 2-(2H-1,3-Benzodioxol-5-yl)-6-phenyl-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione
Technical Specifications
| Molecular Formula | C17H10N4O4S |
| Molecular Weight | 366.04227 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.04227 Da |
| Heavy Atoms | 26 |
| Complexity | 690.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN4C(=NC(=O)N(C4=O)C5=CC=CC=C5)S3 |
| InChIKey | UCFHCVOUKBQAMS-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:305219
Property Insights of RefChem:305219
The XLogP value of 3.2 indicates that RefChem:305219 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305219. Following Lipinski's Rule of Five, RefChem:305219 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
What is the CAS number of RefChem:305219?
The CAS number of RefChem:305219 is 116786-76-6.
What is the molecular formula of RefChem:305219?
The molecular formula of RefChem:305219 is C17H10N4O4S.
What is the molecular weight of RefChem:305219?
The molecular weight of RefChem:305219 is 366.04227 g/mol.
Where can I buy RefChem:305219?
You can request a quote for RefChem:305219 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:305219?
Yes, CoreyChem provides custom synthesis services for RefChem:305219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.