5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-
TL;DR: 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)- (CAS 125766-46-3) is a chemical compound with molecular formula C21H20N4O5S and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-methylphenyl)-[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-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-, 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione, 2-(4-Ethoxy-3,5-dimethoxyphenyl)-6-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione, 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione,2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl), BRN 6015556
| Molecular Formula | C21H20N4O5S |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 2.69322 |
| Topological Polar Surface Area | 96.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.11545 |
| Heavy Atoms | 31 |
| Complexity | 1346.5321 |
Chemical Identifiers
| CAS Number | 125766-46-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)C)S2)OC |
Product Overview
5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)- (CAS 125766-46-3), with molecular formula C21H20N4O5S and molecular weight 440.12 g/mol. IUPAC: 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione.
Chemical Property Profile of 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-
Property Insights of 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-
The XLogP value of 2.69322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-. The TPSA of 96.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-. Following Lipinski's Rule of Five, 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)- 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 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-?
The CAS number of 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)- is 125766-46-3.
What is the molecular formula of 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-?
The molecular formula of 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)- is C21H20N4O5S.
What is the molecular weight of 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-?
The molecular weight of 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)- is 440.12 g/mol.
Where can I buy 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-?
You can request a quote for 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.