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Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate
TL;DR: Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate (CAS 24662-99-5) is a chemical compound with molecular formula C19H19N3O2 and molecular weight 321.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-methylquinoxalin-2-yl)methylamino]benzoate
Also Known As: ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate, ethyl 4-[(3-methylquinoxalin-2-yl)methylamino]benzoate, 1-methyl-3-(1-methyl-pyrrolidin-2-yl)-pyridinium, Benzoicacid, 4-[[(3-methyl-2-quinoxalinyl)methyl]amino]-, ethyl ester
| Molecular Formula | C19H19N3O2 |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.14774 |
| Heavy Atoms | 24 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 24662-99-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=NC3=CC=CC=C3N=C2C |
| InChIKey | AETZIGGUUJNFMY-UHFFFAOYSA-N |
Product Overview
Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate (CAS 24662-99-5), with molecular formula C19H19N3O2 and molecular weight 321.15 g/mol. IUPAC: ethyl 4-[(3-methylquinoxalin-2-yl)methylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate
Property Insights of Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate
The XLogP value of 3.3 indicates that Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate?
The CAS number of Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate is 24662-99-5.
What is the molecular formula of Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate is C19H19N3O2.
What is the molecular weight of Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate is 321.15 g/mol.
Where can I buy Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(3-methylquinoxalin-2-yl)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 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(3-methylquinoxalin-2-yl)methyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.