![2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one structure](/static/products/117/1177726-86-1.png)
2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one
TL;DR: 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one (CAS 1177726-86-1) is a chemical compound with molecular formula C21H24N4O5 and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12',14',14'-trimethyl-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: 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one, 7,9,9-trimethyl-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
| Molecular Formula | C21H24N4O5 |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | 2.2769 |
| Topological Polar Surface Area | 121.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 412.17468 |
| Heavy Atoms | 30 |
| Complexity | 1014.2231 |
Chemical Identifiers
| CAS Number | 1177726-86-1 |
|---|---|
| SMILES | CC1(CC2CC(C1)(C3N2C4=C(CC35C(=O)NC(=O)NC5=O)C=C(C=C4)[N+](=O)[O-])C)C |
Product Overview
2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one (CAS 1177726-86-1), with molecular formula C21H24N4O5 and molecular weight 412.17 g/mol. IUPAC: 12',14',14'-trimethyl-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 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one
Property Insights of 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one
The XLogP value of 2.2769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one. The TPSA of 121.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one. Following Lipinski's Rule of Five, 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one has 2 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',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one?
The CAS number of 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one is 1177726-86-1.
What is the molecular formula of 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one?
The molecular formula of 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one is C21H24N4O5.
What is the molecular weight of 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one?
The molecular weight of 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one is 412.17 g/mol.
Where can I buy 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one?
You can request a quote for 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one?
Yes, KEHONG BIO provides custom synthesis services for 2',6'-dihydroxy-7,9,9-trimethyl-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.