5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
TL;DR: 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 202063-68-1) is a chemical compound with molecular formula C11H7N3O5S and molecular weight 293.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(2-hydroxy-5-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, Dihydro-5-[(2-hydroxy-5-nitrophenyl)methylene]-2-thioxo-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C11H7N3O5S |
|---|---|
| Molecular Weight | 293.01 g/mol |
| LogP | 0.2147 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.01065 |
| Heavy Atoms | 20 |
| Complexity | 660.6362 |
Chemical Identifiers
| CAS Number | 202063-68-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C=C2C(=O)NC(=S)NC2=O)O |
Product Overview
5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 202063-68-1), with molecular formula C11H7N3O5S and molecular weight 293.01 g/mol. IUPAC: 5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Property Insights of 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
The XLogP value of 0.2147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione. Following Lipinski's Rule of Five, 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione has 3 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 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The CAS number of 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 202063-68-1.
What is the molecular formula of 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular formula of 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is C11H7N3O5S.
What is the molecular weight of 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular weight of 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 293.01 g/mol.
Where can I buy 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
You can request a quote for 5-(2-hydroxy-5-nitrobenzylidene)-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-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-hydroxy-5-nitrobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.