![1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione structure](/static/products/900/900608-67-5.png)
1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
TL;DR: 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione (CAS 900608-67-5) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,14'-trimethylspiro[1,3-diazinane-5,8'-5-oxa-2,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaene]-2,4,6-trione
Also Known As: 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, 1',3',9-trimethyl-2,4,4a,6-tetrahydro-1H,1'H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(3'H)-trione
| Molecular Formula | C21H22N4O4 |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 394.1641 |
| Heavy Atoms | 29 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 900608-67-5 |
|---|---|
| SMILES | CC1=CC2=CC3=C(N=C2C=C1)N4CCOCC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C |
| InChIKey | DIACPVFKDVCTBP-UHFFFAOYSA-N |
Product Overview
1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione (CAS 900608-67-5), with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol. IUPAC: 1,3,14'-trimethylspiro[1,3-diazinane-5,8'-5-oxa-2,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaene]-2,4,6-trione.
Chemical Property Profile of 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Property Insights of 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione. Following Lipinski's Rule of Five, 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,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',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione?
The CAS number of 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione is 900608-67-5.
What is the molecular formula of 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione?
The molecular formula of 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione is C21H22N4O4.
What is the molecular weight of 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione?
The molecular weight of 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione is 394.16 g/mol.
Where can I buy 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione?
You can request a quote for 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,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',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1',3',9-trimethyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[benzo[g][1,4]oxazino[4,3-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.