CTK4E5687
TL;DR: CTK4E5687 (CAS 21026-25-5) is a chemical compound with molecular formula C35H38N4O4 and molecular weight 578.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;4,5-dimethyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine
Also Known As: 4,5-DIMETHYL-2-[4-(3,3,3-TRIPHENYLPROPYL)PIPERAZIN-1-YL]PYRIMIDINE MALEATE
| Molecular Formula | C35H38N4O4 |
|---|---|
| Molecular Weight | 578.29 g/mol |
| LogP | 5.35194 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 578.2893 |
| Heavy Atoms | 43 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 21026-25-5 |
|---|---|
| SMILES | CC1=CN=C(N=C1C)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O |
| InChIKey | IAEGSUITQYKEPD-UHFFFAOYSA-N |
Product Overview
CTK4E5687 (CAS 21026-25-5), with molecular formula C35H38N4O4 and molecular weight 578.29 g/mol. IUPAC: but-2-enedioic acid;4,5-dimethyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine.
Chemical Property Profile of CTK4E5687
Property Insights of CTK4E5687
The XLogP value of 5.35194 indicates that CTK4E5687 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4E5687. Following Lipinski's Rule of Five, CTK4E5687 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4E5687?
The CAS number of CTK4E5687 is 21026-25-5.
What is the molecular formula of CTK4E5687?
The molecular formula of CTK4E5687 is C35H38N4O4.
What is the molecular weight of CTK4E5687?
The molecular weight of CTK4E5687 is 578.29 g/mol.
Where can I buy CTK4E5687?
You can request a quote for CTK4E5687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4E5687?
Yes, KEHONG BIO provides custom synthesis services for CTK4E5687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.