ChemDiv1_028838
TL;DR: ChemDiv1_028838 (CAS 329224-94-4) is a chemical compound with molecular formula C25H27F3N2O4 and molecular weight 476.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Also Known As: ChemDiv1_028838, BAS 02780758, 3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one, 3-(3,5-dimethylphenoxy)-8-[(4-ethyl-1-piperazinyl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, 3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
| Molecular Formula | C25H27F3N2O4 |
|---|---|
| Molecular Weight | 476.19 g/mol |
| LogP | 5.06404 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.1923 |
| Heavy Atoms | 34 |
| Complexity | 1241.4712 |
Chemical Identifiers
| CAS Number | 329224-94-4 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=CC(=C4)C)C)C(F)(F)F)O |
Product Overview
ChemDiv1_028838 (CAS 329224-94-4), with molecular formula C25H27F3N2O4 and molecular weight 476.19 g/mol. IUPAC: 3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of ChemDiv1_028838
Property Insights of ChemDiv1_028838
The XLogP value of 5.06404 indicates that ChemDiv1_028838 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028838. Following Lipinski's Rule of Five, ChemDiv1_028838 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028838?
The CAS number of ChemDiv1_028838 is 329224-94-4.
What is the molecular formula of ChemDiv1_028838?
The molecular formula of ChemDiv1_028838 is C25H27F3N2O4.
What is the molecular weight of ChemDiv1_028838?
The molecular weight of ChemDiv1_028838 is 476.19 g/mol.
Where can I buy ChemDiv1_028838?
You can request a quote for ChemDiv1_028838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028838?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.