(E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile
TL;DR: (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile (CAS 340304-87-2) is a chemical compound with molecular formula C25H14Cl2FN3O4 and molecular weight 509.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2,6-dichloro-4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile
Also Known As: (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile, 2-[(2,6-dichloro-4-{(E)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile, 2-[[2,6-dichloro-4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile
| Molecular Formula | C25H14Cl2FN3O4 |
|---|---|
| Molecular Weight | 509.03 g/mol |
| LogP | 5.24958 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.03455 |
| Heavy Atoms | 35 |
| Complexity | 1408.3647 |
Chemical Identifiers
| CAS Number | 340304-87-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COC2=C(C=C(C=C2Cl)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F)Cl)C#N |
Product Overview
(E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile (CAS 340304-87-2), with molecular formula C25H14Cl2FN3O4 and molecular weight 509.03 g/mol. IUPAC: 2-[[2,6-dichloro-4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile.
Chemical Property Profile of (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile
Property Insights of (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile
The XLogP value of 5.24958 indicates that (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile. Following Lipinski's Rule of Five, (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile?
The CAS number of (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile is 340304-87-2.
What is the molecular formula of (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile?
The molecular formula of (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile is C25H14Cl2FN3O4.
What is the molecular weight of (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile?
The molecular weight of (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile is 509.03 g/mol.
Where can I buy (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile?
You can request a quote for (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.