CBKinase1_006847
TL;DR: CBKinase1_006847 (CAS 701289-67-0) is a chemical compound with molecular formula C21H22N6OS and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: CBKinase1_006847, CBKinase1_019247, A3807/0161592, 2-[(4-methyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
| Molecular Formula | C21H22N6OS |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 2.6619 |
| Topological Polar Surface Area | 58.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.1576 |
| Heavy Atoms | 29 |
| Complexity | 1160.0741 |
Chemical Identifiers
| CAS Number | 701289-67-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N3C1=NN=C3SCC(=O)N4CCN(CC4)C5=CC=CC=C5 |
Product Overview
CBKinase1_006847 (CAS 701289-67-0), with molecular formula C21H22N6OS and molecular weight 406.16 g/mol. IUPAC: 2-[(4-methyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of CBKinase1_006847
Property Insights of CBKinase1_006847
The XLogP value of 2.6619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_006847. With a topological polar surface area (TPSA) of 58.67 Ų, CBKinase1_006847 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_006847 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_006847?
The CAS number of CBKinase1_006847 is 701289-67-0.
What is the molecular formula of CBKinase1_006847?
The molecular formula of CBKinase1_006847 is C21H22N6OS.
What is the molecular weight of CBKinase1_006847?
The molecular weight of CBKinase1_006847 is 406.16 g/mol.
Where can I buy CBKinase1_006847?
You can request a quote for CBKinase1_006847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006847?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.