4-Acetamido-3-bromobenzotrifluoride
TL;DR: 4-Acetamido-3-bromobenzotrifluoride (CAS 3823-19-6) is a chemical compound with molecular formula C9H7BrF3NO and molecular weight 280.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide
Also Known As: 4-Acetamido-3-bromobenzotrifluoride, 2-Bromo-4-(trifluoromethyl)acetanilide, N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide, 2'-Bromo-4'-(trifluoromethyl)acetanilide, Maybridge1_001588
| Molecular Formula | C9H7BrF3NO |
|---|---|
| Molecular Weight | 280.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.9663 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 3823-19-6 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(F)(F)F)Br |
| InChIKey | SSPBNPXYQLCJTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetamido-3-bromobenzotrifluoride (CAS 3823-19-6), with molecular formula C9H7BrF3NO and molecular weight 280.97 g/mol. IUPAC: N-[2-bromo-4-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 4-Acetamido-3-bromobenzotrifluoride
Property Insights of 4-Acetamido-3-bromobenzotrifluoride
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamido-3-bromobenzotrifluoride. With a topological polar surface area (TPSA) of 29.1 Ų, 4-Acetamido-3-bromobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetamido-3-bromobenzotrifluoride has 1 hydrogen bond donor(s) and 4 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 4-Acetamido-3-bromobenzotrifluoride?
The CAS number of 4-Acetamido-3-bromobenzotrifluoride is 3823-19-6.
What is the molecular formula of 4-Acetamido-3-bromobenzotrifluoride?
The molecular formula of 4-Acetamido-3-bromobenzotrifluoride is C9H7BrF3NO.
What is the molecular weight of 4-Acetamido-3-bromobenzotrifluoride?
The molecular weight of 4-Acetamido-3-bromobenzotrifluoride is 280.97 g/mol.
Where can I buy 4-Acetamido-3-bromobenzotrifluoride?
You can request a quote for 4-Acetamido-3-bromobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamido-3-bromobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamido-3-bromobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.