![4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide structure](/static/products/4256/425681-64-7.webp)
4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
TL;DR: 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide (CAS 425681-64-7) is a chemical compound with molecular formula C21H17N5OS and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
Also Known As: 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide, 4-methyl-N-[(2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]benzamide, 1-(4-METHYLBENZOYL)-3-(2-PHENYL-1,2,3-BENZOTRIAZOL-5-YL)THIOUREA, 1-(4-METHYLBENZOYL)-3-(2-PHENYL-2H-1,2,3-BENZOTRIAZOL-5-YL)THIOUREA
| Molecular Formula | C21H17N5OS |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 3.85572 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.1154 |
| Heavy Atoms | 28 |
| Complexity | 1152.6183 |
Chemical Identifiers
| CAS Number | 425681-64-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4 |
Product Overview
4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide (CAS 425681-64-7), with molecular formula C21H17N5OS and molecular weight 387.12 g/mol. IUPAC: 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
Property Insights of 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
The XLogP value of 3.85572 indicates that 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide 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 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide 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 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The CAS number of 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is 425681-64-7.
What is the molecular formula of 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The molecular formula of 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is C21H17N5OS.
What is the molecular weight of 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
The molecular weight of 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide is 387.12 g/mol.
Where can I buy 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
You can request a quote for 4-methyl-N-[(2-phenylbenzotriazol-5-yl)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-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.