![(5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/4256/425656-31-1.webp)
(5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 425656-31-1) is a chemical compound with molecular formula C18H9Cl3N2O4S and molecular weight 453.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C18H9Cl3N2O4S |
|---|---|
| Molecular Weight | 453.93 g/mol |
| LogP | 4.2068 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 453.93488 |
| Heavy Atoms | 28 |
| Complexity | 1086.7406 |
Chemical Identifiers
| CAS Number | 425656-31-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C/3\C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)Cl)Cl |
Product Overview
(5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 425656-31-1), with molecular formula C18H9Cl3N2O4S and molecular weight 453.93 g/mol. IUPAC: (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 4.2068 indicates that (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-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 (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 425656-31-1.
What is the molecular formula of (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C18H9Cl3N2O4S.
What is the molecular weight of (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 453.93 g/mol.
Where can I buy (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-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-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.