![3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide structure](/static/products/5329/5329-72-6.webp)
3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide
TL;DR: 3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide (CAS 5329-72-6) is a chemical compound with molecular formula C20H17ClN6O2S2 and molecular weight 472.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-ethoxy-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
Also Known As: 3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide, 3-chloro-4-ethoxy-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
| Molecular Formula | C20H17ClN6O2S2 |
|---|---|
| Molecular Weight | 472.05 g/mol |
| LogP | 4.34012 |
| Topological Polar Surface Area | 93.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.0543 |
| Heavy Atoms | 31 |
| Complexity | 1285.9098 |
Chemical Identifiers
| CAS Number | 5329-72-6 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NN4C(=NN=C4S3)C)Cl |
Product Overview
3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide (CAS 5329-72-6), with molecular formula C20H17ClN6O2S2 and molecular weight 472.05 g/mol. IUPAC: 3-chloro-4-ethoxy-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide
Property Insights of 3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide
The XLogP value of 4.34012 indicates that 3-Chloro-4-ethoxy-N-{[3-(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 93.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-ethoxy-N-{[3-(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-4-ethoxy-N-{[3-(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 7 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-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide?
The CAS number of 3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide is 5329-72-6.
What is the molecular formula of 3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide?
The molecular formula of 3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide is C20H17ClN6O2S2.
What is the molecular weight of 3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide?
The molecular weight of 3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide is 472.05 g/mol.
Where can I buy 3-Chloro-4-ethoxy-N-{[3-(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-4-ethoxy-N-{[3-(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-4-ethoxy-N-{[3-(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-4-ethoxy-N-{[3-(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.