![1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione structure](/static/products/879/879474-42-7.png)
1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
TL;DR: 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione (CAS 879474-42-7) is a chemical compound with molecular formula C28H26N4O7 and molecular weight 530.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,5-dimethoxyphenyl)methyl]-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
Also Known As: 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione, 1-[(3,5-dimethoxyphenyl)methyl]-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione, 3-(3,5-dimethoxybenzyl)-6-hydroxy-1'-methyl-6'-nitro-2'-phenyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
| Molecular Formula | C28H26N4O7 |
|---|---|
| Molecular Weight | 530.18 g/mol |
| LogP | 3.6106 |
| Topological Polar Surface Area | 131.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.1802 |
| Heavy Atoms | 39 |
| Complexity | 1470.2319 |
Chemical Identifiers
| CAS Number | 879474-42-7 |
|---|---|
| SMILES | CN1C(C2(CC3=C1C=CC(=C3)[N+](=O)[O-])C(=O)NC(=O)N(C2=O)CC4=CC(=CC(=C4)OC)OC)C5=CC=CC=C5 |
Product Overview
1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione (CAS 879474-42-7), with molecular formula C28H26N4O7 and molecular weight 530.18 g/mol. IUPAC: 1-[(3,5-dimethoxyphenyl)methyl]-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
Chemical Property Profile of 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
Property Insights of 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
The XLogP value of 3.6106 indicates that 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione. Following Lipinski's Rule of Five, 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
The CAS number of 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is 879474-42-7.
What is the molecular formula of 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
The molecular formula of 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is C28H26N4O7.
What is the molecular weight of 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
The molecular weight of 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is 530.18 g/mol.
Where can I buy 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
You can request a quote for 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(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-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-dimethoxybenzyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.