![N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide structure](/static/products/4284/428498-97-9.webp)
N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide
TL;DR: N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide (CAS 428498-97-9) is a chemical compound with molecular formula C23H21N5O2S and molecular weight 431.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide
Also Known As: N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide, N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-methyl-benzamide, N-{[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-3-methylbenzamide, 3-[2-(4-METHOXYPHENYL)-6-METHYL-1,2,3-BENZOTRIAZOL-5-YL]-1-(3-METHYLBENZOYL)THIOUREA, N-((2-(4-methoxyphenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)-3-methylbenzamide
| Molecular Formula | C23H21N5O2S |
|---|---|
| Molecular Weight | 431.14 g/mol |
| LogP | 4.17274 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.1416 |
| Heavy Atoms | 31 |
| Complexity | 1281.1215 |
Chemical Identifiers
| CAS Number | 428498-97-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)OC |
Product Overview
N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide (CAS 428498-97-9), with molecular formula C23H21N5O2S and molecular weight 431.14 g/mol. IUPAC: N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide.
Chemical Property Profile of N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide
Property Insights of N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide
The XLogP value of 4.17274 indicates that N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide. Following Lipinski's Rule of Five, N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide has 2 hydrogen bond donor(s) and 5 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-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide?
The CAS number of N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide is 428498-97-9.
What is the molecular formula of N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide?
The molecular formula of N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide is C23H21N5O2S.
What is the molecular weight of N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide?
The molecular weight of N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide is 431.14 g/mol.
Where can I buy N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide?
You can request a quote for N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-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-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.