CTK5E7030
TL;DR: CTK5E7030 (CAS 79694-44-3) is a chemical compound with molecular formula C28H19N5O4 and molecular weight 489.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-2-[3-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)isoindol-1-ylidene]-N-(3-methylphenyl)acetamide
Also Known As: EINECS 279-236-3, 2-CYANO-2-[2,3-DIHYDRO-3-(TETRAHYDRO-2,4,6-TRIOXO-1-PHENYL-5(2H)-PYRIMIDINYLIDENE)-1H-ISOINDOL-1-YLIDENE]-N-(3-METHYLPHENYL)ACETAMIDE, 2-Cyano-2-(2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-1-phenyl-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene)-N-(3-methylphenyl)acetamide, Acetamide,2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-1-phenyl-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-(3-methylphenyl)-
| Molecular Formula | C28H19N5O4 |
|---|---|
| Molecular Weight | 489.14 g/mol |
| LogP | 3.2642 |
| Topological Polar Surface Area | 140.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.1437 |
| Heavy Atoms | 37 |
| Complexity | 1789.9803 |
Chemical Identifiers
| CAS Number | 79694-44-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C(=C2C3=CC=CC=C3C(=N2)C4=C(N(C(=O)NC4=O)C5=CC=CC=C5)O)C#N |
Product Overview
CTK5E7030 (CAS 79694-44-3), with molecular formula C28H19N5O4 and molecular weight 489.14 g/mol. IUPAC: 2-cyano-2-[3-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)isoindol-1-ylidene]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of CTK5E7030
Property Insights of CTK5E7030
The XLogP value of 3.2642 indicates that CTK5E7030 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.34 Ų indicates high polarity, suggesting CTK5E7030 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5E7030 has 3 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 CTK5E7030?
The CAS number of CTK5E7030 is 79694-44-3.
What is the molecular formula of CTK5E7030?
The molecular formula of CTK5E7030 is C28H19N5O4.
What is the molecular weight of CTK5E7030?
The molecular weight of CTK5E7030 is 489.14 g/mol.
Where can I buy CTK5E7030?
You can request a quote for CTK5E7030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5E7030?
Yes, KEHONG BIO provides custom synthesis services for CTK5E7030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.