ChemDiv1_007471
TL;DR: ChemDiv1_007471 (CAS 375362-06-4) is a chemical compound with molecular formula C18H14BrF3N2O3 and molecular weight 442.01 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-phenoxyethanone
Also Known As: ChemDiv1_007471, 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone, 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethanone, 3-(4-bromophenyl)-1-(phenoxyacetyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, 1-(3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-phenoxyethanone
| Molecular Formula | C18H14BrF3N2O3 |
|---|---|
| Molecular Weight | 442.01 g/mol |
| LogP | 3.7154 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.01398 |
| Heavy Atoms | 27 |
| Complexity | 856.40564 |
Chemical Identifiers
| CAS Number | 375362-06-4 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)(F)F)O)C(=O)COC2=CC=CC=C2)C3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_007471 (CAS 375362-06-4), with molecular formula C18H14BrF3N2O3 and molecular weight 442.01 g/mol. IUPAC: 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone.
Chemical Property Profile of ChemDiv1_007471
Property Insights of ChemDiv1_007471
The XLogP value of 3.7154 indicates that ChemDiv1_007471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007471. Following Lipinski's Rule of Five, ChemDiv1_007471 has 1 hydrogen bond donor(s) and 4 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_007471?
The CAS number of ChemDiv1_007471 is 375362-06-4.
What is the molecular formula of ChemDiv1_007471?
The molecular formula of ChemDiv1_007471 is C18H14BrF3N2O3.
What is the molecular weight of ChemDiv1_007471?
The molecular weight of ChemDiv1_007471 is 442.01 g/mol.
Where can I buy ChemDiv1_007471?
You can request a quote for ChemDiv1_007471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007471?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.