![(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/840/840486-01-3.png)
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 840486-01-3) is a chemical compound with molecular formula C29H27N3O4S and molecular weight 513.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C29H27N3O4S |
|---|---|
| Molecular Weight | 513.17 g/mol |
| LogP | 4.4879 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.17224 |
| Heavy Atoms | 37 |
| Complexity | 1403.5156 |
Chemical Identifiers
| CAS Number | 840486-01-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=O)/C(=C/C3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)/C(=O)NC2=S |
Product Overview
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 840486-01-3), with molecular formula C29H27N3O4S and molecular weight 513.17 g/mol. IUPAC: (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.4879 indicates that (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-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 (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 840486-01-3.
What is the molecular formula of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C29H27N3O4S.
What is the molecular weight of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 513.17 g/mol.
Where can I buy (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-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 (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(2,5-dimethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.