ChemDiv1_007595
TL;DR: ChemDiv1_007595 (CAS 352349-93-0) is a chemical compound with molecular formula C17H12F3N3O4 and molecular weight 379.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
Also Known As: ChemDiv1_007595, BIM-0048986.P001, [5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone, 1-benzoyl-3-(4-nitrophenyl)-5-trifluoromethyl-4,5-dihydro-1h-pyrazol-5-ol, 1-benzoyl-3-(4-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C17H12F3N3O4 |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 3.0959 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.078 |
| Heavy Atoms | 27 |
| Complexity | 913.27094 |
Chemical Identifiers
| CAS Number | 352349-93-0 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
ChemDiv1_007595 (CAS 352349-93-0), with molecular formula C17H12F3N3O4 and molecular weight 379.08 g/mol. IUPAC: [5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone.
Chemical Property Profile of ChemDiv1_007595
Property Insights of ChemDiv1_007595
The XLogP value of 3.0959 indicates that ChemDiv1_007595 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_007595. Following Lipinski's Rule of Five, ChemDiv1_007595 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_007595?
The CAS number of ChemDiv1_007595 is 352349-93-0.
What is the molecular formula of ChemDiv1_007595?
The molecular formula of ChemDiv1_007595 is C17H12F3N3O4.
What is the molecular weight of ChemDiv1_007595?
The molecular weight of ChemDiv1_007595 is 379.08 g/mol.
Where can I buy ChemDiv1_007595?
You can request a quote for ChemDiv1_007595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007595?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.