Bionet1_004553
TL;DR: Bionet1_004553 (CAS 477858-52-9) is a chemical compound with molecular formula C21H20ClFN2O2 and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate
Also Known As: Bionet1_004553, 2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl N-phenylcarbamate, [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate, 2-[(Z)-(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]oct-3-yl N-phenylcarbamate
| Molecular Formula | C21H20ClFN2O2 |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 5.1629 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.11972 |
| Heavy Atoms | 27 |
| Complexity | 843.49023 |
Chemical Identifiers
| CAS Number | 477858-52-9 |
|---|---|
| SMILES | C1CN2CCC1C(C2=CC3=C(C=CC=C3Cl)F)OC(=O)NC4=CC=CC=C4 |
Product Overview
Bionet1_004553 (CAS 477858-52-9), with molecular formula C21H20ClFN2O2 and molecular weight 386.12 g/mol. IUPAC: [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate.
Chemical Property Profile of Bionet1_004553
Property Insights of Bionet1_004553
The XLogP value of 5.1629 indicates that Bionet1_004553 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, Bionet1_004553 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004553 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_004553?
The CAS number of Bionet1_004553 is 477858-52-9.
What is the molecular formula of Bionet1_004553?
The molecular formula of Bionet1_004553 is C21H20ClFN2O2.
What is the molecular weight of Bionet1_004553?
The molecular weight of Bionet1_004553 is 386.12 g/mol.
Where can I buy Bionet1_004553?
You can request a quote for Bionet1_004553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004553?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.