![(5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/858/858745-91-2.png)
(5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 858745-91-2) is a chemical compound with molecular formula C21H24N4O5S and molecular weight 444.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyliminomethyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (Z)-1-allyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H24N4O5S |
|---|---|
| Molecular Weight | 444.15 g/mol |
| LogP | 2.18289 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.14673 |
| Heavy Atoms | 31 |
| Complexity | 1169.8259 |
Chemical Identifiers
| CAS Number | 858745-91-2 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1CN=CC4=C(N(C(=S)NC4=O)CC=C)O)OC)OCO3 |
Product Overview
(5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 858745-91-2), with molecular formula C21H24N4O5S and molecular weight 444.15 g/mol. IUPAC: 6-hydroxy-5-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyliminomethyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.18289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 8 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-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 858745-91-2.
What is the molecular formula of (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C21H24N4O5S.
What is the molecular weight of (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 444.15 g/mol.
Where can I buy (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-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-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.