![(5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione structure](/static/products/497/497940-92-8.png)
(5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione
TL;DR: (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione (CAS 497940-92-8) is a chemical compound with molecular formula C25H25N3O4S and molecular weight 463.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-(2,5-dimethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione, (Z)-1-(2,5-dimethoxyphenyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C25H25N3O4S |
|---|---|
| Molecular Weight | 463.16 g/mol |
| LogP | 3.2339 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.1566 |
| Heavy Atoms | 33 |
| Complexity | 1175.1284 |
Chemical Identifiers
| CAS Number | 497940-92-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=O)/C(=C\C3=CC4=C5C(=C3)CCCN5CCC4)/C(=O)NC2=S |
Product Overview
(5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione (CAS 497940-92-8), with molecular formula C25H25N3O4S and molecular weight 463.16 g/mol. IUPAC: (5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-(2,5-dimethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione
Property Insights of (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.2339 indicates that (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-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 (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione?
The CAS number of (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione is 497940-92-8.
What is the molecular formula of (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione is C25H25N3O4S.
What is the molecular weight of (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione is 463.16 g/mol.
Where can I buy (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-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 (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(2,5-dimethoxyphenyl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.