![diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate structure](/static/products/866/866341-16-4.png)
diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
TL;DR: diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate (CAS 866341-16-4) is a chemical compound with molecular formula C23H23BrN4O5 and molecular weight 514.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
Also Known As: F1602-0235, 4,5-diethyl 1-{[benzyl(4-bromophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate, diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate, diethyl 1-(2-(benzyl(4-bromophenyl)amino)-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate, Diethyl 1-[[benzyl-(4-bromophenyl)carbamoyl]methyl]triazole-4,5-dicarboxylate
| Molecular Formula | C23H23BrN4O5 |
|---|---|
| Molecular Weight | 514.09 g/mol |
| LogP | 3.6274 |
| Topological Polar Surface Area | 103.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.0852 |
| Heavy Atoms | 33 |
| Complexity | 1115.6403 |
Chemical Identifiers
| CAS Number | 866341-16-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)CC(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)Br)C(=O)OCC |
Product Overview
diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate (CAS 866341-16-4), with molecular formula C23H23BrN4O5 and molecular weight 514.09 g/mol. IUPAC: diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate.
Chemical Property Profile of diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
Property Insights of diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
The XLogP value of 3.6274 indicates that diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.62 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate?
The CAS number of diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate is 866341-16-4.
What is the molecular formula of diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate?
The molecular formula of diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate is C23H23BrN4O5.
What is the molecular weight of diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate?
The molecular weight of diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate is 514.09 g/mol.
Where can I buy diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate?
You can request a quote for diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.