![2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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 structure](/static/products/879/879472-66-9.png)
2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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
TL;DR: 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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 (CAS 879472-66-9) 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'-(2-phenylethyl)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: 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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 | 2.97032 |
| Topological Polar Surface Area | 104.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 533.2063 |
| Heavy Atoms | 40 |
| Complexity | 1782.0385 |
Chemical Identifiers
| CAS Number | 879472-66-9 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)CC4(C5N3CCC6=CC=CC=C56)C(=O)NC(=O)N(C4=O)CCC7=CC=CC=C7 |
Product Overview
2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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 (CAS 879472-66-9), with molecular formula C31H27N5O4 and molecular weight 533.21 g/mol. IUPAC: 5-methyl-1'-(2-phenylethyl)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 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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
Property Insights of 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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
The XLogP value of 2.97032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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. The TPSA of 104.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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. Following Lipinski's Rule of Five, 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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 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 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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?
The CAS number of 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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 is 879472-66-9.
What is the molecular formula of 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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?
The molecular formula of 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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 is C31H27N5O4.
What is the molecular weight of 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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?
The molecular weight of 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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 is 533.21 g/mol.
Where can I buy 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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?
You can request a quote for 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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?
Yes, KEHONG BIO provides custom synthesis services for 2'-hydroxy-12-methyl-1'-(2-phenylethyl)-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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.