Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
TL;DR: Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- (CAS 35443-86-8) is a chemical compound with molecular formula C11H5F6NO3 and molecular weight 313.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-one
Also Known As: 3'-Nitro-4,4,4-trifluoro-3-trifluoromethyl-2-butenophenone, 4,4,4-Trifluoro-3'-nitro-3-trifluoromethyl-2-butenophenone, 1-(3-Nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one, CROTONOPHENONE, 3'-NITRO-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-, Crotonophenone, 4,4,4-trifluoro-3'-nitro-3-(trifluoromethyl)-
| Molecular Formula | C11H5F6NO3 |
|---|---|
| Molecular Weight | 313.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.01736 |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 35443-86-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C=C(C(F)(F)F)C(F)(F)F |
| InChIKey | QWHZNTNUWRYUOR-UHFFFAOYSA-N |
Product Overview
Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- (CAS 35443-86-8), with molecular formula C11H5F6NO3 and molecular weight 313.02 g/mol. IUPAC: 4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-one.
Chemical Property Profile of Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
Property Insights of Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
The XLogP value of 3.9 indicates that Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-. Following Lipinski's Rule of Five, Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- has 0 hydrogen bond donor(s) and 9 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 Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
The CAS number of Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- is 35443-86-8.
What is the molecular formula of Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular formula of Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- is C11H5F6NO3.
What is the molecular weight of Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular weight of Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- is 313.02 g/mol.
Where can I buy Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
You can request a quote for Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.