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Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate
TL;DR: Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate (CAS 383892-08-8) is a chemical compound with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-butoxycarbonylanilino)-6,8-dimethylquinoline-3-carboxylate
Also Known As: ChemDiv1_024462, ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate, 3-Quinolinecarboxylic acid, 4-[[4-(butoxycarbonyl)phenyl]amino]-6,8-dimethyl-, ethyl ester, ethyl 4-(4-butoxycarbonylanilino)-6,8-dimethylquinoline-3-carboxylate, Ethyl 4-[4-(butoxycarbonyl)anilino]-6,8-dimethylquinoline-3-carboxylate
| Molecular Formula | C25H28N2O4 |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 5.72884 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.2049 |
| Heavy Atoms | 31 |
| Complexity | 1090.8674 |
Chemical Identifiers
| CAS Number | 383892-08-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC2=C(C=NC3=C(C=C(C=C32)C)C)C(=O)OCC |
Product Overview
Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate (CAS 383892-08-8), with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol. IUPAC: ethyl 4-(4-butoxycarbonylanilino)-6,8-dimethylquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate
Property Insights of Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate
The XLogP value of 5.72884 indicates that Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate?
The CAS number of Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate is 383892-08-8.
What is the molecular formula of Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate?
The molecular formula of Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate is C25H28N2O4.
What is the molecular weight of Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate?
The molecular weight of Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate is 420.20 g/mol.
Where can I buy Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate?
You can request a quote for Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[4-(butoxycarbonyl)phenyl]amino}-6,8-dimethylquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.