3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate
TL;DR: 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate (CAS 577998-73-3) is a chemical compound with molecular formula C21H17ClF3NO4 and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diethylcarbamate
Also Known As: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diethylcarbamate|3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate|[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]-N,N-diethylcarbo xamide
| Molecular Formula | C21H17ClF3NO4 |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 5.9728 |
| Topological Polar Surface Area | 59.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.07983 |
| Heavy Atoms | 30 |
| Complexity | 1135.9271 |
Chemical Identifiers
| CAS Number | 577998-73-3 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(C=C3)Cl |
Product Overview
3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate (CAS 577998-73-3), with molecular formula C21H17ClF3NO4 and molecular weight 439.08 g/mol. IUPAC: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diethylcarbamate.
Chemical Property Profile of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate
Property Insights of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate
The XLogP value of 5.9728 indicates that 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate 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-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate 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-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate?
The CAS number of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate is 577998-73-3.
What is the molecular formula of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate?
The molecular formula of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate is C21H17ClF3NO4.
What is the molecular weight of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate?
The molecular weight of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate is 439.08 g/mol.
Where can I buy 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate?
You can request a quote for 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.