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Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate
TL;DR: Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate (CAS 5335-99-9) is a chemical compound with molecular formula C25H22N2O3 and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate
Also Known As: ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate, Ethyl 2-(((8-hydroxyquinolin-7-yl)(phenyl)methyl)amino)benzoate, ethyl 2-[[(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate, 2-[[.ALPHA.-(8-HYDROXY-7-QUINOLYL)BENZYL]AMINO]BENZOIC ACID, ETHYL ESTER
| Molecular Formula | C25H22N2O3 |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.16306 |
| Heavy Atoms | 30 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 5335-99-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O |
| InChIKey | CFRIVAVQXGZCHZ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate (CAS 5335-99-9), with molecular formula C25H22N2O3 and molecular weight 398.16 g/mol. IUPAC: ethyl 2-[[(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate.
Chemical Property Profile of Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate
Property Insights of Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate
The XLogP value of 5.8 indicates that Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate?
The CAS number of Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate is 5335-99-9.
What is the molecular formula of Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate?
The molecular formula of Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate is C25H22N2O3.
What is the molecular weight of Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate?
The molecular weight of Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate is 398.16 g/mol.
Where can I buy Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate?
You can request a quote for Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.