![5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione structure](/static/products/5730/5730-68-7.webp)
5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
TL;DR: 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 5730-68-7) is a chemical compound with molecular formula C25H18BrN3O6S and molecular weight 567.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5Z)-5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C25H18BrN3O6S |
|---|---|
| Molecular Weight | 567.01 g/mol |
| LogP | 4.7762 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 567.00995 |
| Heavy Atoms | 36 |
| Complexity | 1392.9084 |
Chemical Identifiers
| CAS Number | 5730-68-7 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)Br)OCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 5730-68-7), with molecular formula C25H18BrN3O6S and molecular weight 567.01 g/mol. IUPAC: (5Z)-5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Property Insights of 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
The XLogP value of 4.7762 indicates that 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione. Following Lipinski's Rule of Five, 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The CAS number of 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 5730-68-7.
What is the molecular formula of 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular formula of 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is C25H18BrN3O6S.
What is the molecular weight of 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular weight of 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 567.01 g/mol.
Where can I buy 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
You can request a quote for 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.