![4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide structure](/static/products/899/899399-29-2.png)
4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide
TL;DR: 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide (CAS 899399-29-2) is a chemical compound with molecular formula C19H15FN6OS2 and molecular weight 426.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methylcarbamothioyl]benzamide
Also Known As: 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide, 4-fluoro-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methylcarbamothioyl]benzamide, 4-fluoro-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl]carbamothioyl}benzamide
| Molecular Formula | C19H15FN6OS2 |
|---|---|
| Molecular Weight | 426.07 g/mol |
| LogP | 3.10482 |
| Topological Polar Surface Area | 84.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.07327 |
| Heavy Atoms | 29 |
| Complexity | 1183.8689 |
Chemical Identifiers
| CAS Number | 899399-29-2 |
|---|---|
| SMILES | CC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=C(C=C4)F |
Product Overview
4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide (CAS 899399-29-2), with molecular formula C19H15FN6OS2 and molecular weight 426.07 g/mol. IUPAC: 4-fluoro-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methylcarbamothioyl]benzamide.
Chemical Property Profile of 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide
Property Insights of 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide
The XLogP value of 3.10482 indicates that 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide. Following Lipinski's Rule of Five, 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide has 2 hydrogen bond donor(s) and 6 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 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide?
The CAS number of 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide is 899399-29-2.
What is the molecular formula of 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide?
The molecular formula of 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide is C19H15FN6OS2.
What is the molecular weight of 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide?
The molecular weight of 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide is 426.07 g/mol.
Where can I buy 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide?
You can request a quote for 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-N-((4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl)carbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.