Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate
TL;DR: Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate (CAS 618070-50-1) is a chemical compound with molecular formula C13H13BrN2O2 and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-bromophenyl)-1-methylpyrazole-5-carboxylate
Also Known As: ethyl 3-(4-bromophenyl)-1-methyl-1h-pyrazole-5-carboxylate, 6687AH, ethyl 5-(4-bromophenyl)-2-methylpyrazole-3-carboxylate, J2.467.971C, A-8249
| Molecular Formula | C13H13BrN2O2 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 3.0263 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.01605 |
| Heavy Atoms | 18 |
| Complexity | 560.87024 |
Chemical Identifiers
| CAS Number | 618070-50-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1C)C2=CC=C(C=C2)Br |
Product Overview
Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate (CAS 618070-50-1), with molecular formula C13H13BrN2O2 and molecular weight 308.02 g/mol. IUPAC: ethyl 3-(4-bromophenyl)-1-methylpyrazole-5-carboxylate.
Chemical Property Profile of Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate
Property Insights of Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate
The XLogP value of 3.0263 indicates that Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate has 0 hydrogen bond donor(s) and 3 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 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate?
The CAS number of Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate is 618070-50-1.
What is the molecular formula of Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate?
The molecular formula of Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate is C13H13BrN2O2.
What is the molecular weight of Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate?
The molecular weight of Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate is 308.02 g/mol.
Where can I buy Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate?
You can request a quote for Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.