Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)-
TL;DR: Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)- (CAS 40281-29-6) is a chemical compound with molecular formula C16H11BrF3NO4 and molecular weight 416.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-bromo-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid
Also Known As: KST-1A4605, 1,4-Benzenediamine,N,N'-diethyl-,sulfate, (4-Bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)acetic acid, (4-bromo-2-{[3-(trifluoromethyl)phenyl]carbamoyl}phenoxy)acetic acid, Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)-
| Molecular Formula | C16H11BrF3NO4 |
|---|---|
| Molecular Weight | 416.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.98236 |
| Heavy Atoms | 25 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 40281-29-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Br)OCC(=O)O)C(F)(F)F |
| InChIKey | GPPQNUYNLQIZDV-UHFFFAOYSA-N |
Product Overview
Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)- (CAS 40281-29-6), with molecular formula C16H11BrF3NO4 and molecular weight 416.98 g/mol. IUPAC: 2-[4-bromo-2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]acetic acid.
Chemical Property Profile of Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)-
Property Insights of Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)-
The XLogP value of 3.9 indicates that Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)-. Following Lipinski's Rule of Five, Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)- has 2 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 Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)-?
The CAS number of Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)- is 40281-29-6.
What is the molecular formula of Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)-?
The molecular formula of Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)- is C16H11BrF3NO4.
What is the molecular weight of Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)-?
The molecular weight of Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)- is 416.98 g/mol.
Where can I buy Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)-?
You can request a quote for Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (4-bromo-2-(((3-(trifluoromethyl)phenyl)amino)carbonyl)phenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.