![[2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate structure](/static/products/4778/477858-53-0.webp)
[2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate
TL;DR: [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate (CAS 477858-53-0) is a chemical compound with molecular formula C22H22ClFN2O3 and molecular weight 416.13 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-(4-methoxyphenyl)carbamate
Also Known As: [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate, 2-[(Z)-(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]oct-3-yl N-(4-methoxyphenyl)carbamate
| Molecular Formula | C22H22ClFN2O3 |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 5.1715 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.1303 |
| Heavy Atoms | 29 |
| Complexity | 903.90466 |
Chemical Identifiers
| CAS Number | 477858-53-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)OC2C3CCN(C2=CC4=C(C=CC=C4Cl)F)CC3 |
Product Overview
[2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate (CAS 477858-53-0), with molecular formula C22H22ClFN2O3 and molecular weight 416.13 g/mol. IUPAC: [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate.
Chemical Property Profile of [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate
Property Insights of [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate
The XLogP value of 5.1715 indicates that [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate 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 [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate?
The CAS number of [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate is 477858-53-0.
What is the molecular formula of [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate?
The molecular formula of [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate is C22H22ClFN2O3.
What is the molecular weight of [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate?
The molecular weight of [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate is 416.13 g/mol.
Where can I buy [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate?
You can request a quote for [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methoxyphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.