Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
TL;DR: Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate (CAS 361990-21-8) 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)-5-methyltriazole-4-carboxylate
Also Known As: Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-bromophenyl)-5-methyltriazole-4-carboxylate, ethyl 1-(4-bromophenyl)-5-methyl-triazole-4-carboxylate, A2451/0103940, ethyl 1-(4-bromophenyl)-5-methyl-1,2,3-triazole-4-carboxylate
| Molecular Formula | C12H12BrN3O2 |
|---|---|
| Molecular Weight | 309.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.0113 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 361990-21-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)Br)C |
| InChIKey | XINJEGKIOUNNCJ-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate (CAS 361990-21-8), with molecular formula C12H12BrN3O2 and molecular weight 309.01 g/mol. IUPAC: ethyl 1-(4-bromophenyl)-5-methyltriazole-4-carboxylate.
Chemical Property Profile of Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Property Insights of Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 3.0 indicates that Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, Ethyl 1-(4-bromophenyl)-5-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)-5-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)-5-methyl-1H-1,2,3-triazole-4-carboxylate?
The CAS number of Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate is 361990-21-8.
What is the molecular formula of Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate is C12H12BrN3O2.
What is the molecular weight of Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate is 309.01 g/mol.
Where can I buy Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for Ethyl 1-(4-bromophenyl)-5-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)-5-methyl-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.