![(5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/6922/692275-79-9.webp)
(5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 692275-79-9) is a chemical compound with molecular formula C21H17ClN2O5S and molecular weight 444.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C21H17ClN2O5S |
|---|---|
| Molecular Weight | 444.05 g/mol |
| LogP | 3.60712 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.05466 |
| Heavy Atoms | 30 |
| Complexity | 1114.8158 |
Chemical Identifiers
| CAS Number | 692275-79-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1/C=C/3\C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)C)OCO2 |
Product Overview
(5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 692275-79-9), with molecular formula C21H17ClN2O5S and molecular weight 444.05 g/mol. IUPAC: (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.60712 indicates that (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 1 hydrogen bond donor(s) and 6 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)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 692275-79-9.
What is the molecular formula of (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C21H17ClN2O5S.
What is the molecular weight of (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 444.05 g/mol.
Where can I buy (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-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)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.