RefChem:305221
TL;DR: RefChem:305221 (CAS 116758-70-4) is a chemical compound with molecular formula C19H16N4O5S and molecular weight 412.08414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-phenyl-2-(3,4,5-trimethoxyphenyl)-[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, 6-phenyl-2-(3,4,5-trimethoxyphenyl)-, 6-Phenyl-2-(3,4,5-trimethoxyphenyl)-5H-1,3,4-thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-phenyl-2-(3,4,5-trimethoxyphenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione, 6-Phenyl-2-(3,4,5-trimethoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione
Technical Specifications
| Molecular Formula | C19H16N4O5S |
| Molecular Weight | 412.08414 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.08414 Da |
| Heavy Atoms | 29 |
| Complexity | 709.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=CC=C4)S2 |
| InChIKey | XFBKALIENATZLN-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:305221
Property Insights of RefChem:305221
The XLogP value of 3.3 indicates that RefChem:305221 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305221. Following Lipinski's Rule of Five, RefChem:305221 has 0 hydrogen bond donor(s) and 7 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:305221?
The CAS number of RefChem:305221 is 116758-70-4.
What is the molecular formula of RefChem:305221?
The molecular formula of RefChem:305221 is C19H16N4O5S.
What is the molecular weight of RefChem:305221?
The molecular weight of RefChem:305221 is 412.08414 g/mol.
Where can I buy RefChem:305221?
You can request a quote for RefChem:305221 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:305221?
Yes, CoreyChem provides custom synthesis services for RefChem:305221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.