Bionet1_004096
TL;DR: Bionet1_004096 (CAS 477888-58-7) is a chemical compound with molecular formula C19H16F4N2O2 and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-fluoropropoxy)phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile
Also Known As: Bionet1_004096, DivK1c_002592, CDS1_001552, (Z)-2-[4-(3-fluoropropoxy)phenyl]-3-[4-(trifluoromethoxy)anilino]-2-propenenitrile, 2-[4-(3-fluoropropoxy)phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile
| Molecular Formula | C19H16F4N2O2 |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 5.30018 |
| Topological Polar Surface Area | 54.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 380.11478 |
| Heavy Atoms | 27 |
| Complexity | 794.44476 |
Chemical Identifiers
| CAS Number | 477888-58-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=CNC2=CC=C(C=C2)OC(F)(F)F)C#N)OCCCF |
Product Overview
Bionet1_004096 (CAS 477888-58-7), with molecular formula C19H16F4N2O2 and molecular weight 380.11 g/mol. IUPAC: 2-[4-(3-fluoropropoxy)phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile.
Chemical Property Profile of Bionet1_004096
Property Insights of Bionet1_004096
The XLogP value of 5.30018 indicates that Bionet1_004096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.28 Ų, Bionet1_004096 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004096 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_004096?
The CAS number of Bionet1_004096 is 477888-58-7.
What is the molecular formula of Bionet1_004096?
The molecular formula of Bionet1_004096 is C19H16F4N2O2.
What is the molecular weight of Bionet1_004096?
The molecular weight of Bionet1_004096 is 380.11 g/mol.
Where can I buy Bionet1_004096?
You can request a quote for Bionet1_004096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004096?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.