![(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/336/336170-80-0.png)
(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 336170-80-0) is a chemical compound with molecular formula C21H20FN3O3S and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-[4-(diethylamino)-2-hydroxybenzylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (Z)-5-(4-(diethylamino)-2-hydroxybenzylidene)-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C21H20FN3O3S |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 3.2088 |
| Topological Polar Surface Area | 72.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.12094 |
| Heavy Atoms | 29 |
| Complexity | 1000.73096 |
Chemical Identifiers
| CAS Number | 336170-80-0 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)O |
Product Overview
(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 336170-80-0), with molecular formula C21H20FN3O3S and molecular weight 413.12 g/mol. IUPAC: (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.2088 indicates that (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]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 72.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 5 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 (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 336170-80-0.
What is the molecular formula of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C21H20FN3O3S.
What is the molecular weight of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 413.12 g/mol.
Where can I buy (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]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-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]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.