(Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one
TL;DR: (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one (CAS 77652-64-3) is a chemical compound with molecular formula C13H7N3O5S and molecular weight 317.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(6-nitro-4-oxochromen-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one, (5Z)-5-[(6-nitro-4-oxochromen-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C13H7N3O5S |
|---|---|
| Molecular Weight | 317.01 g/mol |
| LogP | 1.0464 |
| Topological Polar Surface Area | 114.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.01065 |
| Heavy Atoms | 22 |
| Complexity | 930.9078 |
Chemical Identifiers
| CAS Number | 77652-64-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=CO2)/C=C\3/C(=O)NC(=S)N3 |
Product Overview
(Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one (CAS 77652-64-3), with molecular formula C13H7N3O5S and molecular weight 317.01 g/mol. IUPAC: (5Z)-5-[(6-nitro-4-oxochromen-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one
Property Insights of (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one
The XLogP value of 1.0464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one. The TPSA of 114.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one has 2 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 (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one?
The CAS number of (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one is 77652-64-3.
What is the molecular formula of (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one?
The molecular formula of (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one is C13H7N3O5S.
What is the molecular weight of (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one?
The molecular weight of (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one is 317.01 g/mol.
Where can I buy (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one?
You can request a quote for (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-((6-nitro-4-oxo-4H-chromen-3-yl)methylene)-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.