Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
TL;DR: Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- (CAS 100700-41-2) is a chemical compound with molecular formula C11H6ClF6NO4 and molecular weight 364.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one
Also Known As: BUTYROPHENONE, 4'-CHLORO-3-HYDROXY-3'-NITRO-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-, 1-(4-Chloro-3-nitrophenyl)-3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-1-butanone, 1-Butanone, 1-(4-chloro-3-nitrophenyl)-3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-, 1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one, 1-Butanone, 1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-
| Molecular Formula | C11H6ClF6NO4 |
|---|---|
| Molecular Weight | 364.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.98895 |
| Heavy Atoms | 23 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 100700-41-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)CC(C(F)(F)F)(C(F)(F)F)O)[N+](=O)[O-])Cl |
| InChIKey | IMEGKGCTJXHJFZ-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- (CAS 100700-41-2), with molecular formula C11H6ClF6NO4 and molecular weight 364.99 g/mol. IUPAC: 1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one.
Chemical Property Profile of Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
Property Insights of Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
The XLogP value of 3.3 indicates that Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-. Following Lipinski's Rule of Five, Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- has 1 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 Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
The CAS number of Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- is 100700-41-2.
What is the molecular formula of Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular formula of Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- is C11H6ClF6NO4.
What is the molecular weight of Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular weight of Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- is 364.99 g/mol.
Where can I buy Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
You can request a quote for Butyrophenone, 4'-chloro-3-hydroxy-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 Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.