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ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate structure
Fine Chemical

ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate

TL;DR: ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate (CAS 1024323-99-6) is a chemical compound with molecular formula C25H23ClN4O7 and molecular weight 526.12555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

ethyl 1'-(4-chlorophenyl)-8-nitro-2',4',6'-trioxospiro[1,2,3,4,4a,6-hexahydrobenzo[f]quinolizine-5,5'-1,3-diazinane]-3-carboxylate

Also Known As: ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate, ethyl 1'-(4-chlorophenyl)-8-nitro-2',4',6'-trioxo-1,2,2',3,3',4,4a,4',6,6'-decahydro-1'H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate, ethyl 1'-(4-chlorophenyl)-8-nitro-2',4',6'-trioxospiro[1,2,3,4,4a,6-hexahydrobenzo[f]quinolizine-5,5'-1,3-diazinane]-3-carboxylate

CAS Number
1024323-99-6
Molecular Formula
C25H23ClN4O7
Molecular Weight
526.12555 g/mol
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Technical Specifications

Molecular FormulaC25H23ClN4O7
Molecular Weight526.12555 g/mol
XLogP3.5
Topological Polar Surface Area (TPSA)142.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors8
Rotatable Bonds4
Exact Mass526.12555 Da
Heavy Atoms37
Complexity981.0
SMILESCCOC(=O)C1CCN2C(C1)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)N(C3=O)C5=CC=C(C=C5)Cl
InChIKeyITSVQLVGGODNFB-UHFFFAOYSA-N

Chemical Property Profile of ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate

XLogP
3.5
TPSA (Topological Polar Surface Area)
142.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
8
Rotatable Bonds
4
Heavy Atoms
37
Complexity
981.0
Exact Mass
526.12555
Monoisotopic Mass
526.12555
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate

The XLogP value of 3.5 indicates that ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?

The CAS number of ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is 1024323-99-6.

What is the molecular formula of ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?

The molecular formula of ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is C25H23ClN4O7.

What is the molecular weight of ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?

The molecular weight of ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate is 526.12555 g/mol.

Where can I buy ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?

You can request a quote for ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate?

Yes, CoreyChem provides custom synthesis services for ethyl 1'-(4-chlorophenyl)-2'-hydroxy-8-nitro-4',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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