![(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/848/848929-03-3.png)
(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 848929-03-3) is a chemical compound with molecular formula C25H27N3O3S and molecular weight 449.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-[4-(azepan-1-yl)benzylidene]-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (Z)-5-(4-(azepan-1-yl)benzylidene)-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C25H27N3O3S |
|---|---|
| Molecular Weight | 449.18 g/mol |
| LogP | 4.297 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.1773 |
| Heavy Atoms | 32 |
| Complexity | 1023.4026 |
Chemical Identifiers
| CAS Number | 848929-03-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)N4CCCCCC4)/C(=O)NC2=S |
Product Overview
(5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 848929-03-3), with molecular formula C25H27N3O3S and molecular weight 449.18 g/mol. IUPAC: (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 4.297 indicates that (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione has 1 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-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 848929-03-3.
What is the molecular formula of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C25H27N3O3S.
What is the molecular weight of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 449.18 g/mol.
Where can I buy (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-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-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.