3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
TL;DR: 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one (CAS 685861-35-2) is a chemical compound with molecular formula C22H19ClF3NO4 and molecular weight 453.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenoxy)-7-hydroxy-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one
Also Known As: 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one, 3-(4-chlorophenoxy)-7-hydroxy-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one, 3-(4-chlorophenoxy)-7-hydroxy-8-(1-piperidylmethyl)-2-(trifluoromethyl)chromen-4-one, 3-(4-chlorophenoxy)-7-hydroxy-8-(piperidylmethyl)-2-(trifluoromethyl)chromen-4 -one, 3-(4-Chlorophenoxy)-7-hydroxy-8-[(piperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
| Molecular Formula | C22H19ClF3NO4 |
|---|---|
| Molecular Weight | 453.10 g/mol |
| LogP | 5.949 |
| Topological Polar Surface Area | 62.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.09546 |
| Heavy Atoms | 31 |
| Complexity | 1152.6053 |
Chemical Identifiers
| CAS Number | 685861-35-2 |
|---|---|
| SMILES | C1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)Cl)C(F)(F)F)O |
Product Overview
3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one (CAS 685861-35-2), with molecular formula C22H19ClF3NO4 and molecular weight 453.10 g/mol. IUPAC: 3-(4-chlorophenoxy)-7-hydroxy-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Property Insights of 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
The XLogP value of 5.949 indicates that 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one. Following Lipinski's Rule of Five, 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one has 1 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-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one?
The CAS number of 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one is 685861-35-2.
What is the molecular formula of 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one?
The molecular formula of 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one is C22H19ClF3NO4.
What is the molecular weight of 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one?
The molecular weight of 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one is 453.10 g/mol.
Where can I buy 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one?
You can request a quote for 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-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-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.