5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 382170-81-2) is a chemical compound with molecular formula C11H8N4O5S and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(2-hydroxy-4-nitrophenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, F3220-0531, 6-hydroxy-5-[(2-hydroxy-4-nitrophenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one, 5-{[(2-HYDROXY-4-NITROPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, 5-[(2-hydroxy-4-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C11H8N4O5S |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 1.50249 |
| Topological Polar Surface Area | 144.61 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.02155 |
| Heavy Atoms | 21 |
| Complexity | 854.4226 |
Chemical Identifiers
| CAS Number | 382170-81-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])O)N=CC2=C(NC(=S)NC2=O)O |
Product Overview
5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 382170-81-2), with molecular formula C11H8N4O5S and molecular weight 308.02 g/mol. IUPAC: 6-hydroxy-5-[(2-hydroxy-4-nitrophenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.50249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 144.61 Ų indicates high polarity, suggesting 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 4 hydrogen bond donor(s) and 7 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-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 382170-81-2.
What is the molecular formula of 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C11H8N4O5S.
What is the molecular weight of 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 308.02 g/mol.
Where can I buy 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 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-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((2-hydroxy-4-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.