![(Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/1164/1164510-91-1.webp)
(Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 1164510-91-1) is a chemical compound with molecular formula C21H25N3O2S and molecular weight 383.17 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-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-sec-butyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5Z)-1-(butan-2-yl)-2-sulfanyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 2.8106 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 829.97784 |
Chemical Identifiers
| CAS Number | 1164510-91-1 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C\C2=CC3=C4C(=C2)CCCN4CCC3)/C(=O)NC1=S |
Product Overview
(Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 1164510-91-1), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: (5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.8106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. With a topological polar surface area (TPSA) of 52.65 Ų, (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 4 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 (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 1164510-91-1.
What is the molecular formula of (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C21H25N3O2S.
What is the molecular weight of (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 383.17 g/mol.
Where can I buy (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-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 (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-(sec-butyl)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.