![1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione structure](/static/products/879/879461-12-8.png)
1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
TL;DR: 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione (CAS 879461-12-8) is a chemical compound with molecular formula C23H22N4O5 and molecular weight 434.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7'-nitro-2'-phenylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
Also Known As: 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione, 1,3-dimethyl-7'-nitro-2'-phenyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione, 1,3-dimethyl-7'-nitro-2'-phenylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
| Molecular Formula | C23H22N4O5 |
|---|---|
| Molecular Weight | 434.16 g/mol |
| LogP | 2.5502 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 434.15903 |
| Heavy Atoms | 32 |
| Complexity | 1140.2317 |
Chemical Identifiers
| CAS Number | 879461-12-8 |
|---|---|
| SMILES | CN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CC(C4)C5=CC=CC=C5)C(=O)N(C1=O)C |
Product Overview
1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione (CAS 879461-12-8), with molecular formula C23H22N4O5 and molecular weight 434.16 g/mol. IUPAC: 1,3-dimethyl-7'-nitro-2'-phenylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Property Insights of 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
The XLogP value of 2.5502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione. The TPSA of 104.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione. Following Lipinski's Rule of Five, 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione?
The CAS number of 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione is 879461-12-8.
What is the molecular formula of 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione?
The molecular formula of 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione is C23H22N4O5.
What is the molecular weight of 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione?
The molecular weight of 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione is 434.16 g/mol.
Where can I buy 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione?
You can request a quote for 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.