![1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/858/858739-90-9.png)
1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 858739-90-9) is a chemical compound with molecular formula C27H31N3O4S and molecular weight 493.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-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]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-hexyl-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]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C27H31N3O4S |
|---|---|
| Molecular Weight | 493.20 g/mol |
| LogP | 4.00722 |
| Topological Polar Surface Area | 82.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.20352 |
| Heavy Atoms | 35 |
| Complexity | 1324.1787 |
Chemical Identifiers
| CAS Number | 858739-90-9 |
|---|---|
| SMILES | CCCCCCN1C(=O)C(=CC2=C(C3=C(C4=C5C(=C3)CCCN5CCC4)OC2=O)C)C(=O)NC1=S |
Product Overview
1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 858739-90-9), with molecular formula C27H31N3O4S and molecular weight 493.20 g/mol. IUPAC: 1-hexyl-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]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.00722 indicates that 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 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-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 858739-90-9.
What is the molecular formula of 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C27H31N3O4S.
What is the molecular weight of 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 493.20 g/mol.
Where can I buy 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-hexyl-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)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.