![N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide structure](/static/products/4262/426221-57-0.webp)
N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide
TL;DR: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide (CAS 426221-57-0) is a chemical compound with molecular formula C25H25N5O2S and molecular weight 459.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide
Also Known As: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide, 3-isopropoxy-N-((6-methyl-2-(p-tolyl)-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)benzamide, N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-propan-2-yloxy-benzamide, N-{[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-3-(propan-2-yloxy)benzamide
| Molecular Formula | C25H25N5O2S |
|---|---|
| Molecular Weight | 459.17 g/mol |
| LogP | 4.95134 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.17288 |
| Heavy Atoms | 33 |
| Complexity | 1328.6423 |
Chemical Identifiers
| CAS Number | 426221-57-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)OC(C)C)C |
Product Overview
N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide (CAS 426221-57-0), with molecular formula C25H25N5O2S and molecular weight 459.17 g/mol. IUPAC: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide.
Chemical Property Profile of N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide
Property Insights of N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide
The XLogP value of 4.95134 indicates that N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide 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-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide. Following Lipinski's Rule of Five, N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide 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-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide?
The CAS number of N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide is 426221-57-0.
What is the molecular formula of N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide?
The molecular formula of N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide is C25H25N5O2S.
What is the molecular weight of N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide?
The molecular weight of N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide is 459.17 g/mol.
Where can I buy N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide?
You can request a quote for N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propan-2-yloxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.