3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate
TL;DR: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate (CAS 637749-03-2) is a chemical compound with molecular formula C19H13BrF3NO5 and molecular weight 470.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-dimethylcarbamate
Also Known As: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate, VU0043360-2, 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl N,N-dimethylcarbamate, AF-399/42316002, F3139-1370
| Molecular Formula | C19H13BrF3NO5 |
|---|---|
| Molecular Weight | 470.99 g/mol |
| LogP | 5.427 |
| Topological Polar Surface Area | 68.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.99292 |
| Heavy Atoms | 29 |
| Complexity | 1140.8733 |
Chemical Identifiers
| CAS Number | 637749-03-2 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3Br |
Product Overview
3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate (CAS 637749-03-2), with molecular formula C19H13BrF3NO5 and molecular weight 470.99 g/mol. IUPAC: [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-dimethylcarbamate.
Chemical Property Profile of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate
Property Insights of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate
The XLogP value of 5.427 indicates that 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate. Following Lipinski's Rule of Five, 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate?
The CAS number of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate is 637749-03-2.
What is the molecular formula of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate?
The molecular formula of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate is C19H13BrF3NO5.
What is the molecular weight of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate?
The molecular weight of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate is 470.99 g/mol.
Where can I buy 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate?
You can request a quote for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.