(3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone
TL;DR: (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone (CAS 796876-80-7) is a chemical compound with molecular formula C21H17BrN2O2 and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
Also Known As: (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone, [3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl](2-methylphenyl)methanone, [5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
| Molecular Formula | C21H17BrN2O2 |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 5.34202 |
| Topological Polar Surface Area | 45.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.04733 |
| Heavy Atoms | 26 |
| Complexity | 961.94086 |
Chemical Identifiers
| CAS Number | 796876-80-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CO4 |
Product Overview
(3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone (CAS 796876-80-7), with molecular formula C21H17BrN2O2 and molecular weight 408.05 g/mol. IUPAC: [5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone.
Chemical Property Profile of (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone
Property Insights of (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone
The XLogP value of 5.34202 indicates that (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.81 Ų, (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone?
The CAS number of (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone is 796876-80-7.
What is the molecular formula of (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone?
The molecular formula of (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone is C21H17BrN2O2.
What is the molecular weight of (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone?
The molecular weight of (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone is 408.05 g/mol.
Where can I buy (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone?
You can request a quote for (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(o-tolyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.