1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 374082-88-9) is a chemical compound with molecular formula C16H11N3O6S and molecular weight 373.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-(4-methoxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C16H11N3O6S |
|---|---|
| Molecular Weight | 373.04 g/mol |
| LogP | 2.0277 |
| Topological Polar Surface Area | 114.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.03687 |
| Heavy Atoms | 26 |
| Complexity | 947.1496 |
Chemical Identifiers
| CAS Number | 374082-88-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC2=S |
Product Overview
1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 374082-88-9), with molecular formula C16H11N3O6S and molecular weight 373.04 g/mol. IUPAC: 1-(4-methoxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.0277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 114.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-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-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 374082-88-9.
What is the molecular formula of 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C16H11N3O6S.
What is the molecular weight of 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 373.04 g/mol.
Where can I buy 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)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 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methoxyphenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.