Methyl 4-bromo-1H-pyrazole-3-carboxylate
TL;DR: Methyl 4-bromo-1H-pyrazole-3-carboxylate (CAS 64178-59-2) is a chemical compound with molecular formula C5H5BrN2O2 and molecular weight 203.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-bromo-1H-pyrazole-5-carboxylate
Also Known As: methyl 4-bromo-1H-pyrazole-3-carboxylate, methyl 4-bromo-1H-pyrazole-5-carboxylate, D-Isoleucine, methyl 4-bromopyrazole-3-carboxylate, bromo-4 carbomethoxy-5 pyrazole
| Molecular Formula | C5H5BrN2O2 |
|---|---|
| Molecular Weight | 203.95 g/mol |
| LogP | 0.9588 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.95345 |
| Heavy Atoms | 10 |
| Complexity | 245.55092 |
Chemical Identifiers
| CAS Number | 64178-59-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=NN1)Br |
Product Overview
Methyl 4-bromo-1H-pyrazole-3-carboxylate (CAS 64178-59-2), with molecular formula C5H5BrN2O2 and molecular weight 203.95 g/mol. IUPAC: methyl 4-bromo-1H-pyrazole-5-carboxylate.
Chemical Property Profile of Methyl 4-bromo-1H-pyrazole-3-carboxylate
Property Insights of Methyl 4-bromo-1H-pyrazole-3-carboxylate
The XLogP value of 0.9588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-bromo-1H-pyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 54.98 Ų, Methyl 4-bromo-1H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-bromo-1H-pyrazole-3-carboxylate has 1 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-1H-pyrazole-3-carboxylate?
The CAS number of Methyl 4-bromo-1H-pyrazole-3-carboxylate is 64178-59-2.
What is the molecular formula of Methyl 4-bromo-1H-pyrazole-3-carboxylate?
The molecular formula of Methyl 4-bromo-1H-pyrazole-3-carboxylate is C5H5BrN2O2.
What is the molecular weight of Methyl 4-bromo-1H-pyrazole-3-carboxylate?
The molecular weight of Methyl 4-bromo-1H-pyrazole-3-carboxylate is 203.95 g/mol.
Where can I buy Methyl 4-bromo-1H-pyrazole-3-carboxylate?
You can request a quote for Methyl 4-bromo-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-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-bromo-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.