(3-bromophenyl)(1H-pyrazol-1-yl)methanone
TL;DR: (3-bromophenyl)(1H-pyrazol-1-yl)methanone (CAS 545355-46-2) is a chemical compound with molecular formula C10H7BrN2O and molecular weight 249.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl)-pyrazol-1-ylmethanone
Also Known As: 3-bromophenyl pyrazolyl ketone, 1-(3-bromobenzoyl)-1H-pyrazole, (3-bromophenyl)-pyrazol-1-ylmethanone, (3-bromophenyl)(1H-pyrazol-1-yl)methanone, (3-bromophenyl)-pyrazol-1-yl-methanone
| Molecular Formula | C10H7BrN2O |
|---|---|
| Molecular Weight | 249.97 g/mol |
| LogP | 2.3341 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.97418 |
| Heavy Atoms | 14 |
| Complexity | 450.90536 |
Chemical Identifiers
| CAS Number | 545355-46-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)N2C=CC=N2 |
Product Overview
(3-bromophenyl)(1H-pyrazol-1-yl)methanone (CAS 545355-46-2), with molecular formula C10H7BrN2O and molecular weight 249.97 g/mol. IUPAC: (3-bromophenyl)-pyrazol-1-ylmethanone.
Chemical Property Profile of (3-bromophenyl)(1H-pyrazol-1-yl)methanone
Property Insights of (3-bromophenyl)(1H-pyrazol-1-yl)methanone
The XLogP value of 2.3341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-bromophenyl)(1H-pyrazol-1-yl)methanone. With a topological polar surface area (TPSA) of 34.89 Ų, (3-bromophenyl)(1H-pyrazol-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-bromophenyl)(1H-pyrazol-1-yl)methanone 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 (3-bromophenyl)(1H-pyrazol-1-yl)methanone?
The CAS number of (3-bromophenyl)(1H-pyrazol-1-yl)methanone is 545355-46-2.
What is the molecular formula of (3-bromophenyl)(1H-pyrazol-1-yl)methanone?
The molecular formula of (3-bromophenyl)(1H-pyrazol-1-yl)methanone is C10H7BrN2O.
What is the molecular weight of (3-bromophenyl)(1H-pyrazol-1-yl)methanone?
The molecular weight of (3-bromophenyl)(1H-pyrazol-1-yl)methanone is 249.97 g/mol.
Where can I buy (3-bromophenyl)(1H-pyrazol-1-yl)methanone?
You can request a quote for (3-bromophenyl)(1H-pyrazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-bromophenyl)(1H-pyrazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-bromophenyl)(1H-pyrazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.