4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-
TL;DR: 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)- (CAS 101976-44-7) is a chemical compound with molecular formula C12H7F6NO5 and molecular weight 359.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,5-trifluoro-4-hydroxy-1-(4-nitrophenyl)-4-(trifluoromethyl)pentane-1,2-dione
Also Known As: 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-, 1,1,1-Trifluoro-5-(4-nitrophenyl)-4,5-dioxo-2-trifluoromethyl-2-pentanol, 5,5,5-trifluoro-4-hydroxy-1-(4-nitrophenyl)-4-(trifluoromethyl)pentane-1,2-dione, 1,2-Pentanedione,5,5,5-trifluoro-4-hydroxy-1-(4-nitrophenyl)-4-(trifluoromethyl)-, 1,2-Pentanedione, 5,5,5-trifluoro-4-hydroxy-1-(4-nitrophenyl)-4-(trifluoromethyl)-
| Molecular Formula | C12H7F6NO5 |
|---|---|
| Molecular Weight | 359.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.02283 |
| Heavy Atoms | 24 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 101976-44-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O)[N+](=O)[O-] |
| InChIKey | RJLWBZHWFSHJJH-UHFFFAOYSA-N |
Product Overview
4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)- (CAS 101976-44-7), with molecular formula C12H7F6NO5 and molecular weight 359.02 g/mol. IUPAC: 5,5,5-trifluoro-4-hydroxy-1-(4-nitrophenyl)-4-(trifluoromethyl)pentane-1,2-dione.
Chemical Property Profile of 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-
Property Insights of 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-. Following Lipinski's Rule of Five, 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-?
The CAS number of 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)- is 101976-44-7.
What is the molecular formula of 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-?
The molecular formula of 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)- is C12H7F6NO5.
What is the molecular weight of 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-?
The molecular weight of 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)- is 359.02 g/mol.
Where can I buy 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-?
You can request a quote for 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Pentanedione, 2-hydroxy-5-(p-nitrophenyl)-1,1,1-trifluoro-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.