5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 349486-77-7) is a chemical compound with molecular formula C11H8N4O4S and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(3-nitrophenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-{[(3-nitrophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione, F3220-0511, A0521/0024128, 5-[(3-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C11H8N4O4S |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 1.79689 |
| Topological Polar Surface Area | 124.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0266 |
| Heavy Atoms | 20 |
| Complexity | 808.5558 |
Chemical Identifiers
| CAS Number | 349486-77-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N=CC2=C(NC(=S)NC2=O)O |
Product Overview
5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 349486-77-7), with molecular formula C11H8N4O4S and molecular weight 292.03 g/mol. IUPAC: 6-hydroxy-5-[(3-nitrophenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.79689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 124.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 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-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 349486-77-7.
What is the molecular formula of 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C11H8N4O4S.
What is the molecular weight of 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 292.03 g/mol.
Where can I buy 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(((3-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-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((3-nitrophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.