CBKinase1_011709
TL;DR: CBKinase1_011709 (CAS 832092-75-8) is a chemical compound with molecular formula C21H18F3N5OS and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_011709, CBKinase1_024109, BRD-K43733353-001-01-1, 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, F0653-0179
| Molecular Formula | C21H18F3N5OS |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 5.1959 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.1184 |
| Heavy Atoms | 31 |
| Complexity | 1231.2114 |
Chemical Identifiers
| CAS Number | 832092-75-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CNC4=CC=CC=C43 |
Product Overview
CBKinase1_011709 (CAS 832092-75-8), with molecular formula C21H18F3N5OS and molecular weight 445.12 g/mol. IUPAC: 2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_011709
Property Insights of CBKinase1_011709
The XLogP value of 5.1959 indicates that CBKinase1_011709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011709. Following Lipinski's Rule of Five, CBKinase1_011709 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_011709?
The CAS number of CBKinase1_011709 is 832092-75-8.
What is the molecular formula of CBKinase1_011709?
The molecular formula of CBKinase1_011709 is C21H18F3N5OS.
What is the molecular weight of CBKinase1_011709?
The molecular weight of CBKinase1_011709 is 445.12 g/mol.
Where can I buy CBKinase1_011709?
You can request a quote for CBKinase1_011709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011709?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.