CBKinase1_001051
TL;DR: CBKinase1_001051 (CAS 296772-66-2) is a chemical compound with molecular formula C18H12F3N5OS and molecular weight 403.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_001051, CBKinase1_013451, BAS 01377651, 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C18H12F3N5OS |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 4.2557 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.07147 |
| Heavy Atoms | 28 |
| Complexity | 1174.7781 |
Chemical Identifiers
| CAS Number | 296772-66-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
CBKinase1_001051 (CAS 296772-66-2), with molecular formula C18H12F3N5OS and molecular weight 403.07 g/mol. IUPAC: 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_001051
Property Insights of CBKinase1_001051
The XLogP value of 4.2557 indicates that CBKinase1_001051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001051. Following Lipinski's Rule of Five, CBKinase1_001051 has 2 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_001051?
The CAS number of CBKinase1_001051 is 296772-66-2.
What is the molecular formula of CBKinase1_001051?
The molecular formula of CBKinase1_001051 is C18H12F3N5OS.
What is the molecular weight of CBKinase1_001051?
The molecular weight of CBKinase1_001051 is 403.07 g/mol.
Where can I buy CBKinase1_001051?
You can request a quote for CBKinase1_001051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001051?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.