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1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione structure
Fine Chemical

1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione

TL;DR: 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 1024437-48-6) is a chemical compound with molecular formula C26H28N4O8 and molecular weight 524.19073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-[(3,5-dimethoxyphenyl)methyl]-2',4'-dimethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione

Also Known As: 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 1-[(3,5-dimethoxyphenyl)methyl]-2',4'-dimethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione, 3'-(3,5-dimethoxybenzyl)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione

CAS Number
1024437-48-6
Molecular Formula
C26H28N4O8
Molecular Weight
524.19073 g/mol
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Technical Specifications

Molecular FormulaC26H28N4O8
Molecular Weight524.19073 g/mol
XLogP2.6
Topological Polar Surface Area (TPSA)143.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors9
Rotatable Bonds4
Exact Mass524.19073 Da
Heavy Atoms38
Complexity961.0
SMILESCC1CN2C(C(O1)C)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)N(C3=O)CC5=CC(=CC(=C5)OC)OC
InChIKeyCVQFWTGDVCKCAV-UHFFFAOYSA-N

Chemical Property Profile of 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione

XLogP
2.6
TPSA (Topological Polar Surface Area)
143.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
9
Rotatable Bonds
4
Heavy Atoms
38
Complexity
961.0
Exact Mass
524.19073
Monoisotopic Mass
524.19073
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 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione

The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione. The TPSA of 143.0 Ų indicates high polarity, suggesting 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?

The CAS number of 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is 1024437-48-6.

What is the molecular formula of 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?

The molecular formula of 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is C26H28N4O8.

What is the molecular weight of 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?

The molecular weight of 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is 524.19073 g/mol.

Where can I buy 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?

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Does CoreyChem offer custom synthesis for 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?

Yes, CoreyChem provides custom synthesis services for 1'-(3,5-dimethoxybenzyl)-2,4-dimethyl-8-nitro-2,4,4a,6-tetrahydro-1H,1'H-spiro[[1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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