![ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate structure](/static/products/3433/343373-40-0.webp)
ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
TL;DR: ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate (CAS 343373-40-0) is a chemical compound with molecular formula C12H12BrN3O3 and molecular weight 325.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(4-bromophenyl)-5-oxo-1,2,4-triazol-1-yl]acetate
Also Known As: ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate, 6N-046, ethyl 2-[4-(4-bromophenyl)-5-oxo-1,2,4-triazol-1-yl]acetate, ethyl2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
| Molecular Formula | C12H12BrN3O3 |
|---|---|
| Molecular Weight | 325.01 g/mol |
| LogP | 1.3596 |
| Topological Polar Surface Area | 66.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.0062 |
| Heavy Atoms | 19 |
| Complexity | 630.4143 |
Chemical Identifiers
| CAS Number | 343373-40-0 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)N(C=N1)C2=CC=C(C=C2)Br |
Product Overview
ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate (CAS 343373-40-0), with molecular formula C12H12BrN3O3 and molecular weight 325.01 g/mol. IUPAC: ethyl 2-[4-(4-bromophenyl)-5-oxo-1,2,4-triazol-1-yl]acetate.
Chemical Property Profile of ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
Property Insights of ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
The XLogP value of 1.3596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate. The TPSA of 66.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate 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 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
The CAS number of ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate is 343373-40-0.
What is the molecular formula of ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
The molecular formula of ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate is C12H12BrN3O3.
What is the molecular weight of ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
The molecular weight of ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate is 325.01 g/mol.
Where can I buy ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
You can request a quote for ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[4-(4-bromophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.