![(5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid structure](/static/products/842/842976-05-0.png)
(5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid
TL;DR: (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid (CAS 842976-05-0) is a chemical compound with molecular formula C21H20FN3O5 and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid, (5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-fluoroanilino)methylidene]-1,3-diazinane-2,4,6-trione, 1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-5-[1-(4-fluoro-phenylamino)-meth-(Z)-ylidene]-pyrimidine-2,4,6-trione, (5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[(4-fluorophenyl)amino]methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[(4-fluorophenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C21H20FN3O5 |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 2.3918 |
| Topological Polar Surface Area | 105.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.1387 |
| Heavy Atoms | 30 |
| Complexity | 1182.7267 |
Chemical Identifiers
| CAS Number | 842976-05-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=C(C(=O)NC2=O)C=NC3=CC=C(C=C3)F)O)OC |
Product Overview
(5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid (CAS 842976-05-0), with molecular formula C21H20FN3O5 and molecular weight 413.14 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid
Property Insights of (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid
The XLogP value of 2.3918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid. The TPSA of 105.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid. Following Lipinski's Rule of Five, (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid has 2 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 (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid?
The CAS number of (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid is 842976-05-0.
What is the molecular formula of (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid?
The molecular formula of (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid is C21H20FN3O5.
What is the molecular weight of (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid?
The molecular weight of (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid is 413.14 g/mol.
Where can I buy (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid?
You can request a quote for (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid 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-fluoroanilino)methylene]-1-homoveratryl-barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-[(4-fluoroanilino)methylene]-1-homoveratryl-barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.