![(5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/4333/433322-83-9.webp)
(5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 433322-83-9) is a chemical compound with molecular formula C18H17BrN2O4S and molecular weight 436.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-[2-bromo-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C18H17BrN2O4S |
|---|---|
| Molecular Weight | 436.01 g/mol |
| LogP | 2.8352 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.00925 |
| Heavy Atoms | 26 |
| Complexity | 819.6543 |
Chemical Identifiers
| CAS Number | 433322-83-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)CC=C)Br)OCC=C |
Product Overview
(5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 433322-83-9), with molecular formula C18H17BrN2O4S and molecular weight 436.01 g/mol. IUPAC: (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.8352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)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 (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)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 (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 433322-83-9.
What is the molecular formula of (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C18H17BrN2O4S.
What is the molecular weight of (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 436.01 g/mol.
Where can I buy (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)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 (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)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.