![N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide structure](/static/products/461/461027-45-2.png)
N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide
TL;DR: N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide (CAS 461027-45-2) is a chemical compound with molecular formula C22H18ClN5OS and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methylbenzamide
Also Known As: N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide, N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-methyl-benzamide, N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methylbenzamide, N-{[2-(4-chlorophenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-4-methylbenzamide
| Molecular Formula | C22H18ClN5OS |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 4.81754 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.09207 |
| Heavy Atoms | 30 |
| Complexity | 1249.2594 |
Chemical Identifiers
| CAS Number | 461027-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)Cl |
Product Overview
N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide (CAS 461027-45-2), with molecular formula C22H18ClN5OS and molecular weight 435.09 g/mol. IUPAC: N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide
Property Insights of N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide
The XLogP value of 4.81754 indicates that N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide. Following Lipinski's Rule of Five, N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide has 2 hydrogen bond donor(s) and 4 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 N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide?
The CAS number of N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide is 461027-45-2.
What is the molecular formula of N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide?
The molecular formula of N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide is C22H18ClN5OS.
What is the molecular weight of N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide?
The molecular weight of N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide is 435.09 g/mol.
Where can I buy N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide?
You can request a quote for N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((2-(4-chlorophenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.