![N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide structure](/static/products/6497/649700-46-9.webp)
N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide
TL;DR: N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide (CAS 649700-46-9) is a chemical compound with molecular formula C16H12BrF3N2O3S and molecular weight 447.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]propanamide
Also Known As: N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide, 3-bromo-N-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]propanamide, N1-(2-([2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]THIO)PHENYL)-3-BROMOPROPANAMIDE, 3-bromo-N-(2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}phenyl)propanamide
| Molecular Formula | C16H12BrF3N2O3S |
|---|---|
| Molecular Weight | 447.97 g/mol |
| LogP | 5.4883 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.9704 |
| Heavy Atoms | 26 |
| Complexity | 830.62756 |
Chemical Identifiers
| CAS Number | 649700-46-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CCBr)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide (CAS 649700-46-9), with molecular formula C16H12BrF3N2O3S and molecular weight 447.97 g/mol. IUPAC: 3-bromo-N-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]propanamide.
Chemical Property Profile of N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide
Property Insights of N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide
The XLogP value of 5.4883 indicates that N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide. Following Lipinski's Rule of Five, N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide?
The CAS number of N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide is 649700-46-9.
What is the molecular formula of N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide?
The molecular formula of N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide is C16H12BrF3N2O3S.
What is the molecular weight of N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide?
The molecular weight of N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide is 447.97 g/mol.
Where can I buy N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide?
You can request a quote for N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide?
Yes, KEHONG BIO provides custom synthesis services for N1-(2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}phenyl)-3-bromopropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.