![1-(2-(cyclohex-1-en-1-yl)ethyl)-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/879/879453-87-9.png)
1-(2-(cyclohex-1-en-1-yl)ethyl)-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-(2-(cyclohex-1-en-1-yl)ethyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione (CAS 879453-87-9) is a chemical compound with molecular formula C27H28N4O5 and molecular weight 488.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(cyclohexen-1-yl)ethyl]-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
Also Known As: 1-(2-(cyclohex-1-en-1-yl)ethyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione, 1-[2-(cyclohexen-1-yl)ethyl]-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione, 3-[2-(cyclohex-1-en-1-yl)ethyl]-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 | C27H28N4O5 |
|---|---|
| Molecular Weight | 488.21 g/mol |
| LogP | 4.2837 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.20596 |
| Heavy Atoms | 36 |
| Complexity | 1274.18 |
Chemical Identifiers
| CAS Number | 879453-87-9 |
|---|---|
| SMILES | CN1C(C2(CC3=C1C=CC(=C3)[N+](=O)[O-])C(=O)NC(=O)N(C2=O)CCC4=CCCCC4)C5=CC=CC=C5 |
Product Overview
1-(2-(cyclohex-1-en-1-yl)ethyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione (CAS 879453-87-9), with molecular formula C27H28N4O5 and molecular weight 488.21 g/mol. IUPAC: 1-[2-(cyclohexen-1-yl)ethyl]-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
Chemical Property Profile of 1-(2-(cyclohex-1-en-1-yl)ethyl)-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-(2-(cyclohex-1-en-1-yl)ethyl)-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 4.2837 indicates that 1-(2-(cyclohex-1-en-1-yl)ethyl)-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 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(cyclohex-1-en-1-yl)ethyl)-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-(2-(cyclohex-1-en-1-yl)ethyl)-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 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-(2-(cyclohex-1-en-1-yl)ethyl)-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-(2-(cyclohex-1-en-1-yl)ethyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is 879453-87-9.
What is the molecular formula of 1-(2-(cyclohex-1-en-1-yl)ethyl)-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-(2-(cyclohex-1-en-1-yl)ethyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is C27H28N4O5.
What is the molecular weight of 1-(2-(cyclohex-1-en-1-yl)ethyl)-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-(2-(cyclohex-1-en-1-yl)ethyl)-1'-methyl-6'-nitro-2'-phenyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione is 488.21 g/mol.
Where can I buy 1-(2-(cyclohex-1-en-1-yl)ethyl)-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-(2-(cyclohex-1-en-1-yl)ethyl)-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-(2-(cyclohex-1-en-1-yl)ethyl)-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-(2-(cyclohex-1-en-1-yl)ethyl)-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.