ChemDiv1_007645
TL;DR: ChemDiv1_007645 (CAS 6068-95-7) is a chemical compound with molecular formula C18H13BrF3N3O4 and molecular weight 471.00 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-(4-nitrophenyl)ethanone
Also Known As: ChemDiv1_007645, BIM-0010271.P001, 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone, 3-(4-bromophenyl)-1-[(4-nitrophenyl)acetyl]-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-(4-nitrophenyl)ethan-1-one
| Molecular Formula | C18H13BrF3N3O4 |
|---|---|
| Molecular Weight | 471.00 g/mol |
| LogP | 3.7873 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.00415 |
| Heavy Atoms | 29 |
| Complexity | 977.341 |
Chemical Identifiers
| CAS Number | 6068-95-7 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_007645 (CAS 6068-95-7), with molecular formula C18H13BrF3N3O4 and molecular weight 471.00 g/mol. IUPAC: 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone.
Chemical Property Profile of ChemDiv1_007645
Property Insights of ChemDiv1_007645
The XLogP value of 3.7873 indicates that ChemDiv1_007645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007645. Following Lipinski's Rule of Five, ChemDiv1_007645 has 1 hydrogen bond donor(s) and 5 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_007645?
The CAS number of ChemDiv1_007645 is 6068-95-7.
What is the molecular formula of ChemDiv1_007645?
The molecular formula of ChemDiv1_007645 is C18H13BrF3N3O4.
What is the molecular weight of ChemDiv1_007645?
The molecular weight of ChemDiv1_007645 is 471.00 g/mol.
Where can I buy ChemDiv1_007645?
You can request a quote for ChemDiv1_007645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007645?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.