4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol
TL;DR: 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol (CAS 34848-24-3) is a chemical compound with molecular formula C11H9F6NO4 and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol
Also Known As: 4,4,4-trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol, Quinoline-1-carboxaldehyde,1,2,3,4-tetrahydro-6-methyl, 4,4,4-trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-, 1,3-Butanediol, 4,4,4-trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)-, 1,3-Butanediol,4,4,4-trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)-
| Molecular Formula | C11H9F6NO4 |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.04358 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 34848-24-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CC(C(F)(F)F)(C(F)(F)F)O)O)[N+](=O)[O-] |
| InChIKey | XDQZMNHVMYKYME-UHFFFAOYSA-N |
Product Overview
4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol (CAS 34848-24-3), with molecular formula C11H9F6NO4 and molecular weight 333.04 g/mol. IUPAC: 4,4,4-trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol.
Chemical Property Profile of 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol
Property Insights of 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol has 2 hydrogen bond donor(s) and 10 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 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol?
The CAS number of 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol is 34848-24-3.
What is the molecular formula of 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol?
The molecular formula of 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol is C11H9F6NO4.
What is the molecular weight of 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol?
The molecular weight of 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol is 333.04 g/mol.
Where can I buy 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol?
You can request a quote for 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.