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Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate
TL;DR: Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate (CAS 477887-08-4) is a chemical compound with molecular formula C22H19F2NO3 and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3,4-difluorophenoxy)phenyl]methylamino]benzoate
Also Known As: Bionet1_003641, ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate, ethyl 4-[[2-(3,4-difluorophenoxy)phenyl]methylamino]benzoate, 2P-091, ethyl 4-({[2-(3,4-difluorophenoxy)phenyl]methyl}amino)benzoate
| Molecular Formula | C22H19F2NO3 |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 5.5459 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.1333 |
| Heavy Atoms | 28 |
| Complexity | 958.2506 |
Chemical Identifiers
| CAS Number | 477887-08-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=CC=CC=C2OC3=CC(=C(C=C3)F)F |
Product Overview
Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate (CAS 477887-08-4), with molecular formula C22H19F2NO3 and molecular weight 383.13 g/mol. IUPAC: ethyl 4-[[2-(3,4-difluorophenoxy)phenyl]methylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate
Property Insights of Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate
The XLogP value of 5.5459 indicates that Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate 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 Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate?
The CAS number of Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate is 477887-08-4.
What is the molecular formula of Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate?
The molecular formula of Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate is C22H19F2NO3.
What is the molecular weight of Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate?
The molecular weight of Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate is 383.13 g/mol.
Where can I buy Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate?
You can request a quote for Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[2-(3,4-difluorophenoxy)benzyl]amino}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.