![12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone structure](/static/products/879/879438-54-7.png)
12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone
TL;DR: 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone (CAS 879438-54-7) is a chemical compound with molecular formula C31H27N5O4 and molecular weight 533.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1'-[(4-methylphenyl)methyl]spiro[1,3,9-triazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-2(11),3,5,7,15,17,19-heptaene-13,5'-1,3-diazinane]-2',4',6',10-tetrone
Also Known As: 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone, 2'-hydroxy-12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-4'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(1'H)-trione
| Molecular Formula | C31H27N5O4 |
|---|---|
| Molecular Weight | 533.21 g/mol |
| LogP | 3.23624 |
| Topological Polar Surface Area | 104.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 533.2063 |
| Heavy Atoms | 40 |
| Complexity | 1811.2373 |
Chemical Identifiers
| CAS Number | 879438-54-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=O)C3(CC4=C(N=C5C(=CC=CN5C4=O)C)N6C3C7=CC=CC=C7CC6)C(=O)NC2=O |
Product Overview
12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone (CAS 879438-54-7), with molecular formula C31H27N5O4 and molecular weight 533.21 g/mol. IUPAC: 5-methyl-1'-[(4-methylphenyl)methyl]spiro[1,3,9-triazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-2(11),3,5,7,15,17,19-heptaene-13,5'-1,3-diazinane]-2',4',6',10-tetrone.
Chemical Property Profile of 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone
Property Insights of 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone
The XLogP value of 3.23624 indicates that 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone. Following Lipinski's Rule of Five, 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone?
The CAS number of 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone is 879438-54-7.
What is the molecular formula of 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone?
The molecular formula of 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone is C31H27N5O4.
What is the molecular weight of 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone?
The molecular weight of 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone is 533.21 g/mol.
Where can I buy 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone?
You can request a quote for 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-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 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(3'H,6H)-tetraone?
Yes, KEHONG BIO provides custom synthesis services for 12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-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.