![ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate structure](/static/products/951/951893-20-2.png)
ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
TL;DR: ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate (CAS 951893-20-2) is a chemical compound with molecular formula C12H12BrN3O2 and molecular weight 309.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(4-bromophenyl)methyl]triazole-4-carboxylate
Also Known As: ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-bromobenzyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-[(4-bromophenyl)methyl]triazole-4-carboxylate, AP-006/40863037, 2-CHLORO-3-(2,4,5-TRIMETHYLPHENYL)-1-PROPENE
| Molecular Formula | C12H12BrN3O2 |
|---|---|
| Molecular Weight | 309.01 g/mol |
| LogP | 2.2656 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.0113 |
| Heavy Atoms | 18 |
| Complexity | 536.5105 |
Chemical Identifiers
| CAS Number | 951893-20-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN(N=N1)CC2=CC=C(C=C2)Br |
Product Overview
ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate (CAS 951893-20-2), with molecular formula C12H12BrN3O2 and molecular weight 309.01 g/mol. IUPAC: ethyl 1-[(4-bromophenyl)methyl]triazole-4-carboxylate.
Chemical Property Profile of ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
Property Insights of ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 2.2656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate. With a topological polar surface area (TPSA) of 57.01 Ų, ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate has 0 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 ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The CAS number of ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is 951893-20-2.
What is the molecular formula of ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is C12H12BrN3O2.
What is the molecular weight of ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate is 309.01 g/mol.
Where can I buy ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-[(4-bromophenyl)methyl]-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.