Bionet1_000854
TL;DR: Bionet1_000854 (CAS 339023-71-1) is a chemical compound with molecular formula C17H14ClF3N2O2 and molecular weight 370.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-(dimethylamino)prop-2-en-1-one
Also Known As: Bionet1_000854, 1-(3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-3-(dimethylamino)-2-propen-1-one, 1-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-3-(dimethylamino)prop-2-en-1-one, (E)-1-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-3-(dimethylamino)prop-2-en-1-one
| Molecular Formula | C17H14ClF3N2O2 |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 4.8041 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.06958 |
| Heavy Atoms | 25 |
| Complexity | 804.7202 |
Chemical Identifiers
| CAS Number | 339023-71-1 |
|---|---|
| SMILES | CN(C)C=CC(=O)C1=CC(=CC=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
Bionet1_000854 (CAS 339023-71-1), with molecular formula C17H14ClF3N2O2 and molecular weight 370.07 g/mol. IUPAC: 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-(dimethylamino)prop-2-en-1-one.
Chemical Property Profile of Bionet1_000854
Property Insights of Bionet1_000854
The XLogP value of 4.8041 indicates that Bionet1_000854 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.43 Ų, Bionet1_000854 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000854 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_000854?
The CAS number of Bionet1_000854 is 339023-71-1.
What is the molecular formula of Bionet1_000854?
The molecular formula of Bionet1_000854 is C17H14ClF3N2O2.
What is the molecular weight of Bionet1_000854?
The molecular weight of Bionet1_000854 is 370.07 g/mol.
Where can I buy Bionet1_000854?
You can request a quote for Bionet1_000854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000854?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.