1H-Pyrazole, 4-bromo-1-methyl-
TL;DR: 1H-Pyrazole, 4-bromo-1-methyl- (CAS 25676-75-9) is a chemical compound with molecular formula C4H5BrN2 and molecular weight 159.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methylpyrazole
Also Known As: 4-bromo-1-methyl-1H-pyrazole, 4-bromo-1-methylpyrazole, 1H-Pyrazole, 4-bromo-1-methyl-, 4-bromo-1-methyl-pyrazole, 1-Mehtyl-4-bromo-1H-pyrazole
| Molecular Formula | C4H5BrN2 |
|---|---|
| Molecular Weight | 159.96 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.96361 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 25676-75-9 |
|---|---|
| SMILES | CN1C=C(C=N1)Br |
| InChIKey | IXJSDKIJPVSPKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrazole, 4-bromo-1-methyl- (CAS 25676-75-9), with molecular formula C4H5BrN2 and molecular weight 159.96 g/mol. IUPAC: 4-bromo-1-methylpyrazole.
Chemical Property Profile of 1H-Pyrazole, 4-bromo-1-methyl-
Property Insights of 1H-Pyrazole, 4-bromo-1-methyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 4-bromo-1-methyl-. With a topological polar surface area (TPSA) of 17.8 Ų, 1H-Pyrazole, 4-bromo-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole, 4-bromo-1-methyl- has 0 hydrogen bond donor(s) and 1 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 1H-Pyrazole, 4-bromo-1-methyl-?
The CAS number of 1H-Pyrazole, 4-bromo-1-methyl- is 25676-75-9.
What is the molecular formula of 1H-Pyrazole, 4-bromo-1-methyl-?
The molecular formula of 1H-Pyrazole, 4-bromo-1-methyl- is C4H5BrN2.
What is the molecular weight of 1H-Pyrazole, 4-bromo-1-methyl-?
The molecular weight of 1H-Pyrazole, 4-bromo-1-methyl- is 159.96 g/mol.
Where can I buy 1H-Pyrazole, 4-bromo-1-methyl-?
You can request a quote for 1H-Pyrazole, 4-bromo-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole, 4-bromo-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole, 4-bromo-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.