3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate
TL;DR: 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate (CAS 847183-65-7) is a chemical compound with molecular formula C19H13BrF3NO4 and molecular weight 455.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-dimethylcarbamate
Also Known As: VU0616754-1, 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate, AB01289998-01, F3385-0911, [3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-dimethylcarbamate
| Molecular Formula | C19H13BrF3NO4 |
|---|---|
| Molecular Weight | 455.00 g/mol |
| LogP | 5.3017 |
| Topological Polar Surface Area | 59.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 454.998 |
| Heavy Atoms | 28 |
| Complexity | 1105.0923 |
Chemical Identifiers
| CAS Number | 847183-65-7 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(C=C3)Br |
Product Overview
3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate (CAS 847183-65-7), with molecular formula C19H13BrF3NO4 and molecular weight 455.00 g/mol. IUPAC: [3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-dimethylcarbamate.
Chemical Property Profile of 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate
Property Insights of 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate
The XLogP value of 5.3017 indicates that 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.75 Ų, 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate?
The CAS number of 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate is 847183-65-7.
What is the molecular formula of 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate?
The molecular formula of 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate is C19H13BrF3NO4.
What is the molecular weight of 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate?
The molecular weight of 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate is 455.00 g/mol.
Where can I buy 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate?
You can request a quote for 3-(4-bromophenyl)-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-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.