3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One
TL;DR: 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One (CAS 691366-79-7) is a chemical compound with molecular formula C17H10ClF3O4 and molecular weight 370.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3-methylphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Also Known As: 3-(4-chloro-3-methylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, 3-(4-chloro-3-methylphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one, 3-(4-Chloro-3-methylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, AldrichCPR, 109-221-8, RefChem:492817
| Molecular Formula | C17H10ClF3O4 |
|---|---|
| Molecular Weight | 370.02 g/mol |
| LogP | 5.27152 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.02197 |
| Heavy Atoms | 25 |
| Complexity | 1024.8022 |
Chemical Identifiers
| CAS Number | 691366-79-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F)Cl |
Product Overview
3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One (CAS 691366-79-7), with molecular formula C17H10ClF3O4 and molecular weight 370.02 g/mol. IUPAC: 3-(4-chloro-3-methylphenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One
Property Insights of 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One
The XLogP value of 5.27152 indicates that 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.67 Ų, 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One has 1 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-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One?
The CAS number of 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One is 691366-79-7.
What is the molecular formula of 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One?
The molecular formula of 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One is C17H10ClF3O4.
What is the molecular weight of 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One?
The molecular weight of 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One is 370.02 g/mol.
Where can I buy 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One?
You can request a quote for 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-3-Methylphenoxy)-7-Hydroxy-2-(Trifluoromethyl)-4H-Chromen-4-One and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.