1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 347379-03-7) is a chemical compound with molecular formula C22H13FN4O5S and molecular weight 464.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluorophenyl)-5-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-(2-fluorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C22H13FN4O5S |
|---|---|
| Molecular Weight | 464.06 g/mol |
| LogP | 3.7525 |
| Topological Polar Surface Area | 114.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.05908 |
| Heavy Atoms | 33 |
| Complexity | 1309.1213 |
Chemical Identifiers
| CAS Number | 347379-03-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC4=NC=C(C=C4)[N+](=O)[O-])C(=O)NC2=S)F |
Product Overview
1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 347379-03-7), with molecular formula C22H13FN4O5S and molecular weight 464.06 g/mol. IUPAC: 1-(2-fluorophenyl)-5-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.7525 indicates that 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 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 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 347379-03-7.
What is the molecular formula of 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C22H13FN4O5S.
What is the molecular weight of 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 464.06 g/mol.
Where can I buy 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-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 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-fluorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.