![3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide structure](/static/products/533/533917-64-5.png)
3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide
TL;DR: 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide (CAS 533917-64-5) is a chemical compound with molecular formula C26H27N5O3S and molecular weight 489.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butoxy-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
Also Known As: 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide, 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide, 3-butoxy-N-{[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}benzamide, 3-butoxy-N-((2-(4-methoxyphenyl)-6-methyl-2H-benzo[d][1,2,3]triazol-5-yl)carbamothioyl)benzamide
| Molecular Formula | C26H27N5O3S |
|---|---|
| Molecular Weight | 489.18 g/mol |
| LogP | 5.04322 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.18347 |
| Heavy Atoms | 35 |
| Complexity | 1351.1185 |
Chemical Identifiers
| CAS Number | 533917-64-5 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)OC |
Product Overview
3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide (CAS 533917-64-5), with molecular formula C26H27N5O3S and molecular weight 489.18 g/mol. IUPAC: 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide
Property Insights of 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide
The XLogP value of 5.04322 indicates that 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide. Following Lipinski's Rule of Five, 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide?
The CAS number of 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide is 533917-64-5.
What is the molecular formula of 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide?
The molecular formula of 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide is C26H27N5O3S.
What is the molecular weight of 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide?
The molecular weight of 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide is 489.18 g/mol.
Where can I buy 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide?
You can request a quote for 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-butoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.