![1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione structure](/static/products/879/879453-30-2.png)
1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
TL;DR: 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione (CAS 879453-30-2) is a chemical compound with molecular formula C23H24N4O7 and molecular weight 468.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitrospiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
Also Known As: 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione, 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitrospiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione, 3-benzyl-1'-(2,2-dimethoxyethyl)-6-hydroxy-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
| Molecular Formula | C23H24N4O7 |
|---|---|
| Molecular Weight | 468.16 g/mol |
| LogP | 1.8412 |
| Topological Polar Surface Area | 131.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.1645 |
| Heavy Atoms | 34 |
| Complexity | 1135.3936 |
Chemical Identifiers
| CAS Number | 879453-30-2 |
|---|---|
| SMILES | COC(CN1CC2(CC3=C1C=CC(=C3)[N+](=O)[O-])C(=O)NC(=O)N(C2=O)CC4=CC=CC=C4)OC |
Product Overview
1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione (CAS 879453-30-2), with molecular formula C23H24N4O7 and molecular weight 468.16 g/mol. IUPAC: 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitrospiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
Chemical Property Profile of 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
Property Insights of 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
The XLogP value of 1.8412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione. The TPSA of 131.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione. Following Lipinski's Rule of Five, 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
The CAS number of 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is 879453-30-2.
What is the molecular formula of 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
The molecular formula of 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is C23H24N4O7.
What is the molecular weight of 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
The molecular weight of 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is 468.16 g/mol.
Where can I buy 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione?
You can request a quote for 1-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-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-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-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-benzyl-1'-(2,2-dimethoxyethyl)-6'-nitro-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.