Pyrazole, 5-benzoyl-4-bromo-1-methyl-
TL;DR: Pyrazole, 5-benzoyl-4-bromo-1-methyl- (CAS 55342-96-6) is a chemical compound with molecular formula C11H9BrN2O and molecular weight 263.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-1-methylpyrazol-5-yl)-phenylmethanone
Also Known As: Pyrazole, 5-benzoyl-4-bromo-1-methyl-, pyrazole,5-benzoyl-4-bromo-1-methyl-, (4-Bromo-1-methyl-1H-pyrazol-5-yl)(phenyl)methanone, (4-bromo-2-methylpyrazol-3-yl)-phenylmethanone, A1-75744
| Molecular Formula | C11H9BrN2O |
|---|---|
| Molecular Weight | 263.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.98984 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 55342-96-6 |
|---|---|
| SMILES | CN1C(=C(C=N1)Br)C(=O)C2=CC=CC=C2 |
| InChIKey | QKOWGCQRDQKGGL-UHFFFAOYSA-N |
Product Overview
Pyrazole, 5-benzoyl-4-bromo-1-methyl- (CAS 55342-96-6), with molecular formula C11H9BrN2O and molecular weight 263.99 g/mol. IUPAC: (4-bromo-1-methylpyrazol-5-yl)-phenylmethanone.
Chemical Property Profile of Pyrazole, 5-benzoyl-4-bromo-1-methyl-
Property Insights of Pyrazole, 5-benzoyl-4-bromo-1-methyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole, 5-benzoyl-4-bromo-1-methyl-. With a topological polar surface area (TPSA) of 34.9 Ų, Pyrazole, 5-benzoyl-4-bromo-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazole, 5-benzoyl-4-bromo-1-methyl- has 0 hydrogen bond donor(s) and 2 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 Pyrazole, 5-benzoyl-4-bromo-1-methyl-?
The CAS number of Pyrazole, 5-benzoyl-4-bromo-1-methyl- is 55342-96-6.
What is the molecular formula of Pyrazole, 5-benzoyl-4-bromo-1-methyl-?
The molecular formula of Pyrazole, 5-benzoyl-4-bromo-1-methyl- is C11H9BrN2O.
What is the molecular weight of Pyrazole, 5-benzoyl-4-bromo-1-methyl-?
The molecular weight of Pyrazole, 5-benzoyl-4-bromo-1-methyl- is 263.99 g/mol.
Where can I buy Pyrazole, 5-benzoyl-4-bromo-1-methyl-?
You can request a quote for Pyrazole, 5-benzoyl-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 Pyrazole, 5-benzoyl-4-bromo-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole, 5-benzoyl-4-bromo-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.