![3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide structure](/static/products/896/896072-60-9.png)
3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide
TL;DR: 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide (CAS 896072-60-9) is a chemical compound with molecular formula C18H13ClN6OS2 and molecular weight 428.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
Also Known As: 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide, 3-chloro-N-[[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide, 3-chloro-N-{[2-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide
| Molecular Formula | C18H13ClN6OS2 |
|---|---|
| Molecular Weight | 428.03 g/mol |
| LogP | 3.94142 |
| Topological Polar Surface Area | 84.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.02808 |
| Heavy Atoms | 28 |
| Complexity | 1201.7393 |
Chemical Identifiers
| CAS Number | 896072-60-9 |
|---|---|
| SMILES | CC1=NN=C2N1N=C(S2)C3=CC=CC=C3NC(=S)NC(=O)C4=CC(=CC=C4)Cl |
Product Overview
3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide (CAS 896072-60-9), with molecular formula C18H13ClN6OS2 and molecular weight 428.03 g/mol. IUPAC: 3-chloro-N-[[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide
Property Insights of 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide
The XLogP value of 3.94142 indicates that 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)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 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide. Following Lipinski's Rule of Five, 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)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 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide?
The CAS number of 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide is 896072-60-9.
What is the molecular formula of 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide?
The molecular formula of 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide is C18H13ClN6OS2.
What is the molecular weight of 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide?
The molecular weight of 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide is 428.03 g/mol.
Where can I buy 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide?
You can request a quote for 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-((2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)carbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.