Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone
TL;DR: Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone (CAS 100700-17-2) is a chemical compound with molecular formula C11H8F6N4O5 and molecular weight 390.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
Also Known As: Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone, 4,4,4-Trifluoro-3-hydroxy-3-trifluoromethyl butyraldehyde-2,4-dinitrophenyl hydrazone, (4E)-4-[(2,4-dinitrophenyl)hydrazono]-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol, 3-Hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyraldehyde 2,4-dinitrophenyl hydrazone, 4-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
| Molecular Formula | C11H8F6N4O5 |
|---|---|
| Molecular Weight | 390.04 g/mol |
| LogP | 3.1465 |
| Topological Polar Surface Area | 130.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.0399 |
| Heavy Atoms | 26 |
| Complexity | 718.7673 |
Chemical Identifiers
| CAS Number | 100700-17-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N/N=C/CC(C(F)(F)F)(C(F)(F)F)O |
Product Overview
Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone (CAS 100700-17-2), with molecular formula C11H8F6N4O5 and molecular weight 390.04 g/mol. IUPAC: (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.
Chemical Property Profile of Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone
Property Insights of Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone
The XLogP value of 3.1465 indicates that Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone. Following Lipinski's Rule of Five, Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone has 2 hydrogen bond donor(s) and 7 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 Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone?
The CAS number of Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone is 100700-17-2.
What is the molecular formula of Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone?
The molecular formula of Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone is C11H8F6N4O5.
What is the molecular weight of Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone?
The molecular weight of Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone is 390.04 g/mol.
Where can I buy Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone?
You can request a quote for Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone?
Yes, KEHONG BIO provides custom synthesis services for Butyraldehyde, 3-hydroxy-4,4,4-trifluoromethyl-, 2,4-dinitrophenylhydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.