![(E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/858/858744-96-4.png)
(E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 858744-96-4) is a chemical compound with molecular formula C25H27N3O5 and molecular weight 449.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-tert-butyl-5-[(6-methyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-tert-butyl-5-[(9-methyl-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C25H27N3O5 |
|---|---|
| Molecular Weight | 449.20 g/mol |
| LogP | 3.06052 |
| Topological Polar Surface Area | 99.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 449.19507 |
| Heavy Atoms | 33 |
| Complexity | 1326.5187 |
Chemical Identifiers
| CAS Number | 858744-96-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C3CCCN4C3=C2CCC4)/C=C/5\C(=O)NC(=O)N(C5=O)C(C)(C)C |
Product Overview
(E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 858744-96-4), with molecular formula C25H27N3O5 and molecular weight 449.20 g/mol. IUPAC: (5E)-1-tert-butyl-5-[(6-methyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.06052 indicates that (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione 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 (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 858744-96-4.
What is the molecular formula of (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C25H27N3O5.
What is the molecular weight of (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 449.20 g/mol.
Where can I buy (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(tert-butyl)-5-((9-methyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.