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N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
TL;DR: N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide (CAS 172218-35-8) 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-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
Also Known As: Trifluoroacetamide,-(4-bromobenzyl), N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide, N-(4-Bromobenzyl)-2,2,2-trifluoroacetamide, N-(4-bromobenzyl)trifluoroacetamide, N-(4-bromophenylmethyl)trifluoroacetamide
| 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 | 2 |
| Exact Mass | 280.9663 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 172218-35-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)C(F)(F)F)Br |
| InChIKey | GBGMQVIMVBTEOG-UHFFFAOYSA-N |
Product Overview
N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide (CAS 172218-35-8), with molecular formula C9H7BrF3NO and molecular weight 280.97 g/mol. IUPAC: N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
Property Insights of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide 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 N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide?
The CAS number of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide is 172218-35-8.
What is the molecular formula of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide?
The molecular formula of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide is C9H7BrF3NO.
What is the molecular weight of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide?
The molecular weight of N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide is 280.97 g/mol.
Where can I buy N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide?
You can request a quote for N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.