![1'-cyclohexyl-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/879/879451-73-7.png)
1'-cyclohexyl-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: 1'-cyclohexyl-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 879451-73-7) is a chemical compound with molecular formula C28H27N5O4 and molecular weight 497.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-cyclohexylspiro[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: 1'-cyclohexyl-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, 1'-cyclohexyl-2'-hydroxy-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 | C28H27N5O4 |
|---|---|
| Molecular Weight | 497.21 g/mol |
| LogP | 2.7519 |
| Topological Polar Surface Area | 104.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 497.2063 |
| Heavy Atoms | 37 |
| Complexity | 1541.0597 |
Chemical Identifiers
| CAS Number | 879451-73-7 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)C3(CC4=C(N=C5C=CC=CN5C4=O)N6C3C7=CC=CC=C7CC6)C(=O)NC2=O |
Product Overview
1'-cyclohexyl-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 879451-73-7), with molecular formula C28H27N5O4 and molecular weight 497.21 g/mol. IUPAC: 1'-cyclohexylspiro[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 1'-cyclohexyl-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 1'-cyclohexyl-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 2.7519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-cyclohexyl-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 TPSA of 104.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-cyclohexyl-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, 1'-cyclohexyl-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1'-cyclohexyl-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 1'-cyclohexyl-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 879451-73-7.
What is the molecular formula of 1'-cyclohexyl-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 1'-cyclohexyl-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 C28H27N5O4.
What is the molecular weight of 1'-cyclohexyl-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 1'-cyclohexyl-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 497.21 g/mol.
Where can I buy 1'-cyclohexyl-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 1'-cyclohexyl-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 1'-cyclohexyl-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 1'-cyclohexyl-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.