CBKinase1_006051
TL;DR: CBKinase1_006051 (CAS 701231-72-3) is a chemical compound with molecular formula C27H28N6OS and molecular weight 484.20 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-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone
Also Known As: CBKinase1_006051, CBKinase1_018451, BRD-K71699103-001-01-2, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone, 2-((4,6-Dimethylpyrimidin-2-yl)thio)-1-(4-(4-(p-tolyl)phthalazin-1-yl)piperazin-1-yl)ethan-1-one
| Molecular Formula | C27H28N6OS |
|---|---|
| Molecular Weight | 484.20 g/mol |
| LogP | 4.45296 |
| Topological Polar Surface Area | 75.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.20453 |
| Heavy Atoms | 35 |
| Complexity | 1345.9751 |
Chemical Identifiers
| CAS Number | 701231-72-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CSC5=NC(=CC(=N5)C)C |
Product Overview
CBKinase1_006051 (CAS 701231-72-3), with molecular formula C27H28N6OS and molecular weight 484.20 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone.
Chemical Property Profile of CBKinase1_006051
Property Insights of CBKinase1_006051
The XLogP value of 4.45296 indicates that CBKinase1_006051 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_006051. Following Lipinski's Rule of Five, CBKinase1_006051 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_006051?
The CAS number of CBKinase1_006051 is 701231-72-3.
What is the molecular formula of CBKinase1_006051?
The molecular formula of CBKinase1_006051 is C27H28N6OS.
What is the molecular weight of CBKinase1_006051?
The molecular weight of CBKinase1_006051 is 484.20 g/mol.
Where can I buy CBKinase1_006051?
You can request a quote for CBKinase1_006051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006051?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.