Bionet1_004016
TL;DR: Bionet1_004016 (CAS 477888-40-7) is a chemical compound with molecular formula C22H16ClF2NO2 and molecular weight 399.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one
Also Known As: Bionet1_004016, DivK1c_002512, CDS1_001472, (E)-1-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-fluoroanilino)-2-propen-1-one, 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one
| Molecular Formula | C22H16ClF2NO2 |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 6.0057 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.08377 |
| Heavy Atoms | 28 |
| Complexity | 966.1735 |
Chemical Identifiers
| CAS Number | 477888-40-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)COC2=CC=C(C=C2)C(=O)C=CNC3=CC=C(C=C3)F)F |
Product Overview
Bionet1_004016 (CAS 477888-40-7), with molecular formula C22H16ClF2NO2 and molecular weight 399.08 g/mol. IUPAC: 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one.
Chemical Property Profile of Bionet1_004016
Property Insights of Bionet1_004016
The XLogP value of 6.0057 indicates that Bionet1_004016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Bionet1_004016 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004016 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_004016?
The CAS number of Bionet1_004016 is 477888-40-7.
What is the molecular formula of Bionet1_004016?
The molecular formula of Bionet1_004016 is C22H16ClF2NO2.
What is the molecular weight of Bionet1_004016?
The molecular weight of Bionet1_004016 is 399.08 g/mol.
Where can I buy Bionet1_004016?
You can request a quote for Bionet1_004016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004016?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.