7E-019
TL;DR: 7E-019 (CAS 339008-41-2) is a chemical compound with molecular formula C21H14ClF3N4O2 and molecular weight 446.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]methyl]-2H-phthalazin-1-one
Also Known As: 7E-019, 4-((4-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)anilino)methyl)-1(2H)-phthalazinone, 4-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]methyl]-2H-phthalazin-1-one, 4-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methyl}-1,2-dihydrophthalazin-1-one, 4-[(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)methyl]-1(2H)-phthalazinone
| Molecular Formula | C21H14ClF3N4O2 |
|---|---|
| Molecular Weight | 446.08 g/mol |
| LogP | 5.3947 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.07574 |
| Heavy Atoms | 31 |
| Complexity | 1290.5359 |
Chemical Identifiers
| CAS Number | 339008-41-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)CNC3=CC=C(C=C3)OC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
7E-019 (CAS 339008-41-2), with molecular formula C21H14ClF3N4O2 and molecular weight 446.08 g/mol. IUPAC: 4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]methyl]-2H-phthalazin-1-one.
Chemical Property Profile of 7E-019
Property Insights of 7E-019
The XLogP value of 5.3947 indicates that 7E-019 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7E-019. Following Lipinski's Rule of Five, 7E-019 has 2 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 7E-019?
The CAS number of 7E-019 is 339008-41-2.
What is the molecular formula of 7E-019?
The molecular formula of 7E-019 is C21H14ClF3N4O2.
What is the molecular weight of 7E-019?
The molecular weight of 7E-019 is 446.08 g/mol.
Where can I buy 7E-019?
You can request a quote for 7E-019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7E-019?
Yes, KEHONG BIO provides custom synthesis services for 7E-019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.