![(5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione structure](/static/products/673/673441-05-9.png)
(5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
TL;DR: (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione (CAS 673441-05-9) is a chemical compound with molecular formula C25H22FN3O4 and molecular weight 447.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[1-[2-(2,6-dimethylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione, (5E)-5-[[1-[2-(2,6-dimethylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione, (E)-5-((1-(2-(2,6-dimethylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-1-(4-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C25H22FN3O4 |
|---|---|
| Molecular Weight | 447.16 g/mol |
| LogP | 3.98944 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.15942 |
| Heavy Atoms | 33 |
| Complexity | 1240.6614 |
Chemical Identifiers
| CAS Number | 673441-05-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCCN2C=CC=C2/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F |
Product Overview
(5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione (CAS 673441-05-9), with molecular formula C25H22FN3O4 and molecular weight 447.16 g/mol. IUPAC: (5E)-5-[[1-[2-(2,6-dimethylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Property Insights of (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
The XLogP value of 3.98944 indicates that (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione has 1 hydrogen bond donor(s) and 4 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)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione?
The CAS number of (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione is 673441-05-9.
What is the molecular formula of (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione?
The molecular formula of (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione is C25H22FN3O4.
What is the molecular weight of (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione?
The molecular weight of (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione is 447.16 g/mol.
Where can I buy (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione?
You can request a quote for (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,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)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-({1-[2-(2,6-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.