3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline
TL;DR: 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline (CAS 99468-72-1) is a chemical compound with molecular formula C10H6BrF6NO and molecular weight 348.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-2-bromoacetamide
Also Known As: 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline, N-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoacetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-bromoacetamide, 4699AF, 3',5'-Bis(trifluoromethyl)-2-bromoacetanilide
| Molecular Formula | C10H6BrF6NO |
|---|---|
| Molecular Weight | 348.95 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.9537 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 99468-72-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)NC(=O)CBr)C(F)(F)F |
| InChIKey | DCCKYVKUIKRMPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline (CAS 99468-72-1), with molecular formula C10H6BrF6NO and molecular weight 348.95 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-bromoacetamide.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline
Property Insights of 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline
The XLogP value of 4.5 indicates that 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline has 1 hydrogen bond donor(s) and 7 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 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline?
The CAS number of 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline is 99468-72-1.
What is the molecular formula of 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline?
The molecular formula of 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline is C10H6BrF6NO.
What is the molecular weight of 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline?
The molecular weight of 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline is 348.95 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline?
You can request a quote for 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)-N-(bromoacetyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.