Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
TL;DR: Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate (CAS 211738-66-8) is a chemical compound with molecular formula C6H7BrN2O2 and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-bromo-1-methylpyrazole-3-carboxylate
Also Known As: Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate, methyl 4-bromo-1-methylpyrazole-3-carboxylate, 1,1-Diphenylethylcyanide, Methyl 4-bromo-1-methyl-pyrazole-3-carboxylate, ACN-C000803
| Molecular Formula | C6H7BrN2O2 |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.96909 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 211738-66-8 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)OC)Br |
| InChIKey | PFKHXPUGZRGBPX-UHFFFAOYSA-N |
Product Overview
Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate (CAS 211738-66-8), with molecular formula C6H7BrN2O2 and molecular weight 217.97 g/mol. IUPAC: methyl 4-bromo-1-methylpyrazole-3-carboxylate.
Chemical Property Profile of Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Property Insights of Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 44.1 Ų, Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-bromo-1-methyl-1H-pyrazole-3-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 Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate?
The CAS number of Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate is 211738-66-8.
What is the molecular formula of Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate?
The molecular formula of Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate is C6H7BrN2O2.
What is the molecular weight of Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate?
The molecular weight of Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate is 217.97 g/mol.
Where can I buy Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate?
You can request a quote for Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.