![(5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/4159/415941-66-1.webp)
(5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 415941-66-1) is a chemical compound with molecular formula C26H22FN3O2S and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,3-diphenylpropyliminomethyl)-1-(4-fluorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-{[(3,3-diphenylpropyl)amino]methylidene}-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (Z)-5-(((3,3-diphenylpropyl)amino)methylene)-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C26H22FN3O2S |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 5.38089 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.14166 |
| Heavy Atoms | 33 |
| Complexity | 1325.56 |
Chemical Identifiers
| CAS Number | 415941-66-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCN=CC2=C(N(C(=S)NC2=O)C3=CC=C(C=C3)F)O)C4=CC=CC=C4 |
Product Overview
(5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 415941-66-1), with molecular formula C26H22FN3O2S and molecular weight 459.14 g/mol. IUPAC: 5-(3,3-diphenylpropyliminomethyl)-1-(4-fluorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 5.38089 indicates that (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 415941-66-1.
What is the molecular formula of (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C26H22FN3O2S.
What is the molecular weight of (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 459.14 g/mol.
Where can I buy (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-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 (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-[(3,3-diphenylpropylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.