![2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione structure](/static/products/879/879453-89-1.png)
2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
TL;DR: 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione (CAS 879453-89-1) is a chemical compound with molecular formula C25H26N4O5 and molecular weight 462.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-nitro-1-(2-phenylethyl)spiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-2,4,6-trione
Also Known As: 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione, 3'-nitro-1-phenethylspiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-2,4,6-trione, 3-nitro-1'-phenethyl-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione
| Molecular Formula | C25H26N4O5 |
|---|---|
| Molecular Weight | 462.19 g/mol |
| LogP | 3.2074 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.1903 |
| Heavy Atoms | 34 |
| Complexity | 1167.1509 |
Chemical Identifiers
| CAS Number | 879453-89-1 |
|---|---|
| SMILES | C1CCC2C3(CC4=C(N2CC1)C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)N(C3=O)CCC5=CC=CC=C5 |
Product Overview
2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione (CAS 879453-89-1), with molecular formula C25H26N4O5 and molecular weight 462.19 g/mol. IUPAC: 3'-nitro-1-(2-phenylethyl)spiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
Property Insights of 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
The XLogP value of 3.2074 indicates that 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione 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 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione. Following Lipinski's Rule of Five, 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione 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 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione?
The CAS number of 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione is 879453-89-1.
What is the molecular formula of 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione?
The molecular formula of 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione is C25H26N4O5.
What is the molecular weight of 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione?
The molecular weight of 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione is 462.19 g/mol.
Where can I buy 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione?
You can request a quote for 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2'-hydroxy-3-nitro-1'-(2-phenylethyl)-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.