![12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione structure](/static/products/879/879453-14-2.png)
12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione
TL;DR: 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione (CAS 879453-14-2) is a chemical compound with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2'-sulfanylidenespiro[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]-4',6',10-trione
Also Known As: 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione, 6'-hydroxy-12-methyl-2'-sulfanyl-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',7-dione
| Molecular Formula | C23H19N5O3S |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 1.18012 |
| Topological Polar Surface Area | 95.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 445.12085 |
| Heavy Atoms | 32 |
| Complexity | 1408.8893 |
Chemical Identifiers
| CAS Number | 879453-14-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)CC4(C5N3CCC6=CC=CC=C56)C(=O)NC(=S)NC4=O |
Product Overview
12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione (CAS 879453-14-2), with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol. IUPAC: 5-methyl-2'-sulfanylidenespiro[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]-4',6',10-trione.
Chemical Property Profile of 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione
Property Insights of 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione
The XLogP value of 1.18012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione. The TPSA of 95.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione. Following Lipinski's Rule of Five, 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione has 2 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 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione?
The CAS number of 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione is 879453-14-2.
What is the molecular formula of 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione?
The molecular formula of 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione is C23H19N5O3S.
What is the molecular weight of 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione?
The molecular weight of 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione is 445.12 g/mol.
Where can I buy 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione?
You can request a quote for 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 12-methyl-2'-thioxo-2',3',15,16-tetrahydro-1'H,4bH-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(6H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.