![(5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE structure](/static/products/6016/6016-72-4.webp)
(5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
TL;DR: (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE (CAS 6016-72-4) is a chemical compound with molecular formula C21H12BrN3O5S and molecular weight 496.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-bromophenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, 1-(4-bromophenyl)-5-{[5-(3-nitrophenyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-1-(4-bromophenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H12BrN3O5S |
|---|---|
| Molecular Weight | 496.97 g/mol |
| LogP | 4.4486 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.9681 |
| Heavy Atoms | 31 |
| Complexity | 1266.0294 |
Chemical Identifiers
| CAS Number | 6016-72-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br |
Product Overview
(5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE (CAS 6016-72-4), with molecular formula C21H12BrN3O5S and molecular weight 496.97 g/mol. IUPAC: (5E)-1-(4-bromophenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
Property Insights of (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
The XLogP value of 4.4486 indicates that (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-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 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE. Following Lipinski's Rule of Five, (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-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-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
The CAS number of (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE is 6016-72-4.
What is the molecular formula of (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
The molecular formula of (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE is C21H12BrN3O5S.
What is the molecular weight of (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
The molecular weight of (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE is 496.97 g/mol.
Where can I buy (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
You can request a quote for (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-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-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(4-BROMOPHENYL)-5-{[5-(3-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.