CBKinase1_005953
TL;DR: CBKinase1_005953 (CAS 701245-39-8) is a chemical compound with molecular formula C26H26N6OS and molecular weight 470.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
Also Known As: CBKinase1_005953, CBKinase1_018353, BRD-K93776745-001-01-6, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone, 2-((4,6-dimethylpyrimidin-2-yl)thio)-1-(4-(4-phenylphthalazin-1-yl)piperazin-1-yl)ethanone
| Molecular Formula | C26H26N6OS |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 4.14454 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.18887 |
| Heavy Atoms | 34 |
| Complexity | 1301.439 |
Chemical Identifiers
| CAS Number | 701245-39-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)C |
Product Overview
CBKinase1_005953 (CAS 701245-39-8), with molecular formula C26H26N6OS and molecular weight 470.19 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone.
Chemical Property Profile of CBKinase1_005953
Property Insights of CBKinase1_005953
The XLogP value of 4.14454 indicates that CBKinase1_005953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.11 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005953. Following Lipinski's Rule of Five, CBKinase1_005953 has 0 hydrogen bond donor(s) and 7 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 CBKinase1_005953?
The CAS number of CBKinase1_005953 is 701245-39-8.
What is the molecular formula of CBKinase1_005953?
The molecular formula of CBKinase1_005953 is C26H26N6OS.
What is the molecular weight of CBKinase1_005953?
The molecular weight of CBKinase1_005953 is 470.19 g/mol.
Where can I buy CBKinase1_005953?
You can request a quote for CBKinase1_005953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005953?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.