3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide
TL;DR: 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide (CAS 2728-59-8) is a chemical compound with molecular formula C10H8BrClF3NO and molecular weight 328.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
Also Known As: 3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide, N1-[2-chloro-5-(trifluoromethyl)phenyl]-3-bromopropanamide, 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide, 3-Bromo-N-(2-chloro-5-(trifluoromethyl)phenyl)propanamide, 3-bromo-propionic acid-(2-chloro-5-trifluoromethyl-anilide)
| Molecular Formula | C10H8BrClF3NO |
|---|---|
| Molecular Weight | 328.94 g/mol |
| LogP | 4.0823 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.943 |
| Heavy Atoms | 17 |
| Complexity | 422.50232 |
Chemical Identifiers
| CAS Number | 2728-59-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)NC(=O)CCBr)Cl |
Product Overview
3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide (CAS 2728-59-8), with molecular formula C10H8BrClF3NO and molecular weight 328.94 g/mol. IUPAC: 3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.
Chemical Property Profile of 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide
Property Insights of 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide
The XLogP value of 4.0823 indicates that 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide has 1 hydrogen bond donor(s) and 1 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 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide?
The CAS number of 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide is 2728-59-8.
What is the molecular formula of 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide?
The molecular formula of 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide is C10H8BrClF3NO.
What is the molecular weight of 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide?
The molecular weight of 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide is 328.94 g/mol.
Where can I buy 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide?
You can request a quote for 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2'-chloro-5'-(trifluoromethyl)propionanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.