(5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 348596-49-6) is a chemical compound with molecular formula C21H19N3O7S and molecular weight 457.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H19N3O7S |
|---|---|
| Molecular Weight | 457.09 g/mol |
| LogP | 2.842 |
| Topological Polar Surface Area | 120.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.09436 |
| Heavy Atoms | 32 |
| Complexity | 1146.2084 |
Chemical Identifiers
| CAS Number | 348596-49-6 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)/C(=O)NC2=S |
Product Overview
(5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 348596-49-6), with molecular formula C21H19N3O7S and molecular weight 457.09 g/mol. IUPAC: (5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 120.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 8 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 (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 348596-49-6.
What is the molecular formula of (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C21H19N3O7S.
What is the molecular weight of (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 457.09 g/mol.
Where can I buy (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-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 (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.