ChemDiv1_007689
TL;DR: ChemDiv1_007689 (CAS 376611-69-7) is a chemical compound with molecular formula C18H14BrF3N2O2 and molecular weight 426.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
Also Known As: ChemDiv1_007689, BIM-0027147.P001, 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone, 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenylethanone, 1-(3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-phenylethanone
| Molecular Formula | C18H14BrF3N2O2 |
|---|---|
| Molecular Weight | 426.02 g/mol |
| LogP | 3.8791 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.01907 |
| Heavy Atoms | 26 |
| Complexity | 837.7648 |
Chemical Identifiers
| CAS Number | 376611-69-7 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)(F)F)O)C(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_007689 (CAS 376611-69-7), with molecular formula C18H14BrF3N2O2 and molecular weight 426.02 g/mol. IUPAC: 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone.
Chemical Property Profile of ChemDiv1_007689
Property Insights of ChemDiv1_007689
The XLogP value of 3.8791 indicates that ChemDiv1_007689 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, ChemDiv1_007689 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007689 has 1 hydrogen bond donor(s) and 3 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 ChemDiv1_007689?
The CAS number of ChemDiv1_007689 is 376611-69-7.
What is the molecular formula of ChemDiv1_007689?
The molecular formula of ChemDiv1_007689 is C18H14BrF3N2O2.
What is the molecular weight of ChemDiv1_007689?
The molecular weight of ChemDiv1_007689 is 426.02 g/mol.
Where can I buy ChemDiv1_007689?
You can request a quote for ChemDiv1_007689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007689?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.