![(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione structure](/static/products/577/577989-46-9.png)
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 577989-46-9) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.14 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-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-((1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C22H21N3O2S |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 2.8959 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.13544 |
| Heavy Atoms | 28 |
| Complexity | 984.5313 |
Chemical Identifiers
| CAS Number | 577989-46-9 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC3=C(C=C2)N(CCC3)CC4=CC=CC=C4)/C(=O)NC1=S |
Product Overview
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 577989-46-9), with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol. IUPAC: (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-methyl-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-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.8959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione. With a topological polar surface area (TPSA) of 52.65 Ų, (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-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 (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 577989-46-9.
What is the molecular formula of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione is C22H21N3O2S.
What is the molecular weight of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 391.14 g/mol.
Where can I buy (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-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-methyl-2-sulfanylpyrimidine-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-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.