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5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-fluorophenyl)- structure
Fine Chemical

5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-fluorophenyl)-

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-fluorophenyl)- (CAS 125766-43-0) is a chemical compound with molecular formula C20H17FN4O5S and molecular weight 444.09036 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-[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-fluorophenyl)-, 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione, 2-(4-Ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione, BRN 6016965

CAS Number
125766-43-0
Molecular Formula
C20H17FN4O5S
Molecular Weight
444.09036 g/mol
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Technical Specifications

Molecular FormulaC20H17FN4O5S
Molecular Weight444.09036 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)118.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors8
Rotatable Bonds6
Exact Mass444.09036 Da
Heavy Atoms31
Complexity759.0
SMILESCCOC1=C(C=C(C=C1OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)F)S2)OC
InChIKeyBTFGWGDIYVYBQM-UHFFFAOYSA-N

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-fluorophenyl)-

XLogP
3.8
TPSA (Topological Polar Surface Area)
118.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
8
Rotatable Bonds
6
Heavy Atoms
31
Complexity
759.0
Exact Mass
444.09036
Monoisotopic Mass
444.09036
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

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-fluorophenyl)-

The XLogP value of 3.8 indicates that 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-fluorophenyl)- 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 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-fluorophenyl)-. 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-fluorophenyl)- 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

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-fluorophenyl)-?

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-fluorophenyl)- is 125766-43-0.

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-fluorophenyl)-?

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-fluorophenyl)- is C20H17FN4O5S.

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-fluorophenyl)-?

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-fluorophenyl)- is 444.09036 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-fluorophenyl)-?

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-fluorophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem 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-fluorophenyl)-?

Yes, CoreyChem 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-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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