CBKinase1_011336
TL;DR: CBKinase1_011336 (CAS 831213-23-1) is a chemical compound with molecular formula C21H18N4OS and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,2-dihydroacenaphthylen-5-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone
Also Known As: CBKinase1_011336, CBKinase1_023736, BRD-K49735363-001-01-8, 1-(1,2-dihydroacenaphthylen-5-yl)-2-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)ethanone, F1739-0046
| Molecular Formula | C21H18N4OS |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 3.96794 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.12012 |
| Heavy Atoms | 27 |
| Complexity | 1217.7877 |
Chemical Identifiers
| CAS Number | 831213-23-1 |
|---|---|
| SMILES | CC1=CC(=NC2=NC(=NN12)SCC(=O)C3=CC=C4CCC5=C4C3=CC=C5)C |
Product Overview
CBKinase1_011336 (CAS 831213-23-1), with molecular formula C21H18N4OS and molecular weight 374.12 g/mol. IUPAC: 1-(1,2-dihydroacenaphthylen-5-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_011336
Property Insights of CBKinase1_011336
The XLogP value of 3.96794 indicates that CBKinase1_011336 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011336. Following Lipinski's Rule of Five, CBKinase1_011336 has 0 hydrogen bond donor(s) and 5 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_011336?
The CAS number of CBKinase1_011336 is 831213-23-1.
What is the molecular formula of CBKinase1_011336?
The molecular formula of CBKinase1_011336 is C21H18N4OS.
What is the molecular weight of CBKinase1_011336?
The molecular weight of CBKinase1_011336 is 374.12 g/mol.
Where can I buy CBKinase1_011336?
You can request a quote for CBKinase1_011336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011336?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.