RefChem:305221
TL;DR: RefChem:305221 (CAS 116758-70-4) is a chemical compound with molecular formula C19H16N4O5S and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, RefChem:305221
| Molecular Formula | C19H16N4O5S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 1.9947 |
| Topological Polar Surface Area | 96.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.08414 |
| Heavy Atoms | 29 |
| Complexity | 1284.9166 |
Chemical Identifiers
| CAS Number | 116758-70-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=CC=C4)S2 |
Product Overview
RefChem:305221 (CAS 116758-70-4), with molecular formula C19H16N4O5S and molecular weight 412.08 g/mol. IUPAC: 6-phenyl-2-(3,4,5-trimethoxyphenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione.
Chemical Property Profile of RefChem:305221
Property Insights of RefChem:305221
The XLogP value of 1.9947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305221. The TPSA of 96.95 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 8 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 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 412.08 g/mol.
Where can I buy RefChem:305221?
You can request a quote for RefChem:305221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305221?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.