BIM-0006902.P001
TL;DR: BIM-0006902.P001 (CAS 5795-34-6) 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-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone
Also Known As: BIM-0006902.P001, [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone, [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone, 2-(3-NITROBENZOYL)-5-PHENYL-3-(TRIFLUOROMETHYL)-4H-PYRAZOL-3-OL, 1-(3-nitrobenzoyl)-3-phenyl-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 | 930.52094 |
Chemical Identifiers
| CAS Number | 5795-34-6 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
BIM-0006902.P001 (CAS 5795-34-6), with molecular formula C17H12F3N3O4 and molecular weight 379.08 g/mol. IUPAC: [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone.
Chemical Property Profile of BIM-0006902.P001
Property Insights of BIM-0006902.P001
The XLogP value of 3.0959 indicates that BIM-0006902.P001 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 BIM-0006902.P001. Following Lipinski's Rule of Five, BIM-0006902.P001 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 BIM-0006902.P001?
The CAS number of BIM-0006902.P001 is 5795-34-6.
What is the molecular formula of BIM-0006902.P001?
The molecular formula of BIM-0006902.P001 is C17H12F3N3O4.
What is the molecular weight of BIM-0006902.P001?
The molecular weight of BIM-0006902.P001 is 379.08 g/mol.
Where can I buy BIM-0006902.P001?
You can request a quote for BIM-0006902.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0006902.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0006902.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.