(S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
TL;DR: (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide (CAS 596096-86-5) is a chemical compound with molecular formula C17H13ClF4N2O5 and molecular weight 436.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Also Known As: (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide, (s)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethylphenyl)propionamide, (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethylphenyl)propionamide, analytical standard
| Molecular Formula | C17H13ClF4N2O5 |
|---|---|
| Molecular Weight | 436.04 g/mol |
| LogP | 4.1746 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.04492 |
| Heavy Atoms | 29 |
| Complexity | 949.9059 |
Chemical Identifiers
| CAS Number | 596096-86-5 |
|---|---|
| SMILES | C[C@](COC1=CC(=C(C=C1)Cl)F)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O |
Product Overview
(S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide (CAS 596096-86-5), with molecular formula C17H13ClF4N2O5 and molecular weight 436.04 g/mol. IUPAC: (2S)-3-(4-chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide.
Chemical Property Profile of (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
Property Insights of (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
The XLogP value of 4.1746 indicates that (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide. Following Lipinski's Rule of Five, (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide has 2 hydrogen bond donor(s) and 5 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 (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide?
The CAS number of (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide is 596096-86-5.
What is the molecular formula of (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide?
The molecular formula of (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide is C17H13ClF4N2O5.
What is the molecular weight of (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide?
The molecular weight of (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide is 436.04 g/mol.
Where can I buy (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide?
You can request a quote for (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(4-Chloro-3-fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.