![(5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione structure](/static/products/585/585550-41-0.png)
(5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
TL;DR: (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione (CAS 585550-41-0) is a chemical compound with molecular formula C28H21ClFN3O4 and molecular weight 517.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[1-[2-(4-chloro-2-methylphenoxy)ethyl]indol-3-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione, (5Z)-5-[[1-[2-(4-chloro-2-methylphenoxy)ethyl]indol-3-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione, (Z)-5-((1-(2-(4-chloro-2-methylphenoxy)ethyl)-1H-indol-3-yl)methylene)-1-(4-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C28H21ClFN3O4 |
|---|---|
| Molecular Weight | 517.12 g/mol |
| LogP | 5.48762 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.1205 |
| Heavy Atoms | 37 |
| Complexity | 1576.3527 |
Chemical Identifiers
| CAS Number | 585550-41-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCCN2C=C(C3=CC=CC=C32)/C=C\4/C(=O)NC(=O)N(C4=O)C5=CC=C(C=C5)F |
Product Overview
(5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione (CAS 585550-41-0), with molecular formula C28H21ClFN3O4 and molecular weight 517.12 g/mol. IUPAC: (5Z)-5-[[1-[2-(4-chloro-2-methylphenoxy)ethyl]indol-3-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Property Insights of (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
The XLogP value of 5.48762 indicates that (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-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 (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione?
The CAS number of (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione is 585550-41-0.
What is the molecular formula of (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione?
The molecular formula of (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione is C28H21ClFN3O4.
What is the molecular weight of (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione?
The molecular weight of (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione is 517.12 g/mol.
Where can I buy (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione?
You can request a quote for (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-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 (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-({1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-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.