![1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone structure](/static/products/896/896856-70-5.png)
1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone
TL;DR: 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone (CAS 896856-70-5) is a chemical compound with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5'-trimethylspiro[1,3-diazinane-5,8'-2,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),13,15,17-tetraene]-2,4,6,11'-tetrone
Also Known As: 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone, 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H,7H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(1'H,3'H)-tetrone
| Molecular Formula | C21H23N5O4 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 409.17502 |
| Heavy Atoms | 30 |
| Complexity | 998.0 |
Chemical Identifiers
| CAS Number | 896856-70-5 |
|---|---|
| SMILES | CC1CCN2C(C1)C3(CC4=C2N=C5C=CC=CN5C4=O)C(=O)N(C(=O)N(C3=O)C)C |
| InChIKey | BQXCBFIDFDKJCO-UHFFFAOYSA-N |
Product Overview
1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone (CAS 896856-70-5), with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol. IUPAC: 1,3,5'-trimethylspiro[1,3-diazinane-5,8'-2,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),13,15,17-tetraene]-2,4,6,11'-tetrone.
Chemical Property Profile of 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone
Property Insights of 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone. Following Lipinski's Rule of Five, 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone 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',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone?
The CAS number of 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone is 896856-70-5.
What is the molecular formula of 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone?
The molecular formula of 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone is C21H23N5O4.
What is the molecular weight of 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone?
The molecular weight of 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone is 409.18 g/mol.
Where can I buy 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone?
You can request a quote for 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone?
Yes, KEHONG BIO provides custom synthesis services for 1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,1'H-spiro[pyrido[1',2':1,2]pyrimido[5,4-c]quinolizine-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.