![1,3-dimethyl-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/858/858738-86-0.png)
1,3-dimethyl-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: 1,3-dimethyl-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 858738-86-0) is a chemical compound with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-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: 1,3-dimethyl-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, 1,3-dimethyl-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 | C23H23N3O4S |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 2.39892 |
| Topological Polar Surface Area | 74.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 437.14093 |
| Heavy Atoms | 31 |
| Complexity | 1248.0441 |
Chemical Identifiers
| CAS Number | 858738-86-0 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C3CCCN4C3=C2CCC4)C=C5C(=O)N(C(=S)N(C5=O)C)C |
Product Overview
1,3-dimethyl-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 858738-86-0), with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol. IUPAC: 1,3-dimethyl-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 1,3-dimethyl-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 1,3-dimethyl-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 2.39892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-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 TPSA of 74.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-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, 1,3-dimethyl-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 0 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 1,3-dimethyl-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 1,3-dimethyl-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 858738-86-0.
What is the molecular formula of 1,3-dimethyl-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 1,3-dimethyl-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 C23H23N3O4S.
What is the molecular weight of 1,3-dimethyl-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 1,3-dimethyl-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 437.14 g/mol.
Where can I buy 1,3-dimethyl-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 1,3-dimethyl-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 1,3-dimethyl-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 1,3-dimethyl-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.