IFLab1_004582
TL;DR: IFLab1_004582 (CAS 328019-19-8) is a chemical compound with molecular formula C21H19F4NO4 and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(dimethylamino)methyl]-6-ethyl-3-(2-fluorophenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Also Known As: IFLab1_004582, IDI1_010337, 8-[(dimethylamino)methyl]-6-ethyl-3-(2-fluorophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, F1067-0247, 8-((dimethylamino)methyl)-6-ethyl-3-(2-fluorophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
| Molecular Formula | C21H19F4NO4 |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 5.0728 |
| Topological Polar Surface Area | 62.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.12503 |
| Heavy Atoms | 30 |
| Complexity | 1152.4222 |
Chemical Identifiers
| CAS Number | 328019-19-8 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN(C)C)OC(=C(C2=O)OC3=CC=CC=C3F)C(F)(F)F |
Product Overview
IFLab1_004582 (CAS 328019-19-8), with molecular formula C21H19F4NO4 and molecular weight 425.13 g/mol. IUPAC: 8-[(dimethylamino)methyl]-6-ethyl-3-(2-fluorophenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of IFLab1_004582
Property Insights of IFLab1_004582
The XLogP value of 5.0728 indicates that IFLab1_004582 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 IFLab1_004582. Following Lipinski's Rule of Five, IFLab1_004582 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 IFLab1_004582?
The CAS number of IFLab1_004582 is 328019-19-8.
What is the molecular formula of IFLab1_004582?
The molecular formula of IFLab1_004582 is C21H19F4NO4.
What is the molecular weight of IFLab1_004582?
The molecular weight of IFLab1_004582 is 425.13 g/mol.
Where can I buy IFLab1_004582?
You can request a quote for IFLab1_004582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004582?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.