1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone
TL;DR: 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone (CAS 5906-49-0) is a chemical compound with molecular formula C13H13BrN2O and molecular weight 292.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone
Also Known As: BIM-0036380.P001, 4-bromo-3,5-dimethyl-1-(phenylacetyl)-1H-pyrazole, 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone, 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-phenylethanone, 1-(4-bromo-3,5-dimethylpyrazolyl)-2-phenylethan-1-one
| Molecular Formula | C13H13BrN2O |
|---|---|
| Molecular Weight | 292.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.02112 |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 5906-49-0 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)CC2=CC=CC=C2)C)Br |
| InChIKey | TVSLGNRCZRTTNZ-UHFFFAOYSA-N |
Product Overview
1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone (CAS 5906-49-0), with molecular formula C13H13BrN2O and molecular weight 292.02 g/mol. IUPAC: 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone.
Chemical Property Profile of 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone
Property Insights of 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone
The XLogP value of 3.2 indicates that 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone 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 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone?
The CAS number of 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone is 5906-49-0.
What is the molecular formula of 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone?
The molecular formula of 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone is C13H13BrN2O.
What is the molecular weight of 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone?
The molecular weight of 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone is 292.02 g/mol.
Where can I buy 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone?
You can request a quote for 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.