![1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione structure](/static/products/121/1212104-77-2.png)
1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione
TL;DR: 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 1212104-77-2) is a chemical compound with molecular formula C23H28N4O5 and molecular weight 440.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,12',14',14'-pentamethyl-6'-nitrospiro[1,3-diazinane-5,10'-2-azatetracyclo[10.3.1.02,11.03,8]hexadeca-3(8),4,6-triene]-2,4,6-trione
Also Known As: 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione, 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
| Molecular Formula | C23H28N4O5 |
|---|---|
| Molecular Weight | 440.21 g/mol |
| LogP | 2.9613 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 440.20596 |
| Heavy Atoms | 32 |
| Complexity | 1073.8577 |
Chemical Identifiers
| CAS Number | 1212104-77-2 |
|---|---|
| SMILES | CC1(CC2CC(C1)(C3N2C4=C(CC35C(=O)N(C(=O)N(C5=O)C)C)C=C(C=C4)[N+](=O)[O-])C)C |
Product Overview
1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 1212104-77-2), with molecular formula C23H28N4O5 and molecular weight 440.21 g/mol. IUPAC: 1,3,12',14',14'-pentamethyl-6'-nitrospiro[1,3-diazinane-5,10'-2-azatetracyclo[10.3.1.02,11.03,8]hexadeca-3(8),4,6-triene]-2,4,6-trione.
Chemical Property Profile of 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione
Property Insights of 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione
The XLogP value of 2.9613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione. The TPSA of 104.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione. Following Lipinski's Rule of Five, 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-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',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione?
The CAS number of 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione is 1212104-77-2.
What is the molecular formula of 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione?
The molecular formula of 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione is C23H28N4O5.
What is the molecular weight of 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione?
The molecular weight of 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione is 440.21 g/mol.
Where can I buy 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione?
You can request a quote for 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-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',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1',3',7,9,9-pentamethyl-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.