(5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 425656-86-6) is a chemical compound with molecular formula C18H11Cl2N3O6S and molecular weight 466.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(2,3-dichlorophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(2,3-dichlorophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H11Cl2N3O6S |
|---|---|
| Molecular Weight | 466.97 g/mol |
| LogP | 3.4471 |
| Topological Polar Surface Area | 122.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.97455 |
| Heavy Atoms | 30 |
| Complexity | 1150.9819 |
Chemical Identifiers
| CAS Number | 425656-86-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\C(=O)NC(=S)N(C2=O)C3=C(C(=CC=C3)Cl)Cl |
Product Overview
(5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 425656-86-6), with molecular formula C18H11Cl2N3O6S and molecular weight 466.97 g/mol. IUPAC: (5E)-1-(2,3-dichlorophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.4471 indicates that (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 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 (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 425656-86-6.
What is the molecular formula of (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C18H11Cl2N3O6S.
What is the molecular weight of (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 466.97 g/mol.
Where can I buy (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-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 (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(2,3-dichlorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.