Quinespar

Base Information

• Chemical Name: Quinespar
• CAS No.: 18921-66-9
• Molecular Formula: C₂₄H₂₈N₆O₅
• Molecular Weight: 480.524
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10172323
• Nikkaji Number: J39.675C
• Wikidata: Q83042426
• ChEMBL ID: CHEMBL3244846
• Mol file: 18921-66-9.mol

Synonyms:N-(4-(((2,4-diamino-6-quinazolinyl)methyl)amino)benzoyl)aspartic acid diethyl ester;quinespar

Chemical Property of Quinespar

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 171.55000
• Density: 1.342g/cm³
• LogP: 3.64730
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 480.21211801
• Heavy Atom Count: 35
• Complexity: 717

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(N=C3N)N
• Isomeric SMILES: CCOC(=O)C[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(N=C3N)N

Technology Process of Quinespar

There total 1 articles about Quinespar which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ N-{4-[(2,4-diamino-quinazolin-6-ylmethyl)-amino]-benzoyl}-aspartic acid diethyl ester (18921-66-9,27129-03-9)

Guidance literature:

entspr. Nitril (V), Raney-Ni, p-Aminobenzoyl-L-aspartat;