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(4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione structure
Fine Chemical

(4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione

TL;DR: (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione (CAS 1212448-01-5) is a chemical compound with molecular formula C17H18N4O5 and molecular weight 358.12772 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione

Also Known As: (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione, (R)-4a-methyl-8-nitro-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione

CAS Number
1212448-01-5
Molecular Formula
C17H18N4O5
Molecular Weight
358.12772 g/mol
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Technical Specifications

Molecular FormulaC17H18N4O5
Molecular Weight358.12772 g/mol
XLogP1.5
Topological Polar Surface Area (TPSA)124.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds0
Exact Mass358.12772 Da
Heavy Atoms26
Complexity669.0
SMILESC[C@]12CCCCN1C3=C(CC24C(=O)NC(=O)NC4=O)C=C(C=C3)[N+](=O)[O-]
InChIKeyZDGMVPSDEKWDII-MRXNPFEDSA-N

Chemical Property Profile of (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione

XLogP
1.5
TPSA (Topological Polar Surface Area)
124.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
0
Heavy Atoms
26
Complexity
669.0
Exact Mass
358.12772
Monoisotopic Mass
358.12772
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 (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione

The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione. Following Lipinski's Rule of Five, (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione?

The CAS number of (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione is 1212448-01-5.

What is the molecular formula of (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione?

The molecular formula of (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione is C17H18N4O5.

What is the molecular weight of (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione?

The molecular weight of (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione is 358.12772 g/mol.

Where can I buy (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione?

You can request a quote for (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione?

Yes, CoreyChem provides custom synthesis services for (4'aR)-4'a-methyl-8'-nitrospiro[1,3-diazinane-5,5'-2,3,4,6-tetrahydro-1H-benzo[c]quinolizine]-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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