![(5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/5976/5976-67-0.webp)
(5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 5976-67-0) is a chemical compound with molecular formula C15H11BrN2O4S and molecular weight 393.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C15H11BrN2O4S |
|---|---|
| Molecular Weight | 393.96 g/mol |
| LogP | 1.9905 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.96228 |
| Heavy Atoms | 23 |
| Complexity | 774.98553 |
Chemical Identifiers
| CAS Number | 5976-67-0 |
|---|---|
| SMILES | C=CCN1C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)NC1=S |
Product Overview
(5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 5976-67-0), with molecular formula C15H11BrN2O4S and molecular weight 393.96 g/mol. IUPAC: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.9905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-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-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 5976-67-0.
What is the molecular formula of (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C15H11BrN2O4S.
What is the molecular weight of (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 393.96 g/mol.
Where can I buy (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-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-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.