CBKinase1_011707
TL;DR: CBKinase1_011707 (CAS 832092-53-2) is a chemical compound with molecular formula C20H20BrFN4OS and molecular weight 462.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,5-dimethylphenyl)-2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_011707, CBKinase1_024107, BRD-K29563255-001-01-9, N-(2-bromo-4,5-dimethylphenyl)-2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-bromo-4,5-dimethylphenyl)-2-{[4-ethyl-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H20BrFN4OS |
|---|---|
| Molecular Weight | 462.05 g/mol |
| LogP | 5.21424 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.05252 |
| Heavy Atoms | 28 |
| Complexity | 1021.4354 |
Chemical Identifiers
| CAS Number | 832092-53-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)C)Br)C3=CC=CC=C3F |
Product Overview
CBKinase1_011707 (CAS 832092-53-2), with molecular formula C20H20BrFN4OS and molecular weight 462.05 g/mol. IUPAC: N-(2-bromo-4,5-dimethylphenyl)-2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_011707
Property Insights of CBKinase1_011707
The XLogP value of 5.21424 indicates that CBKinase1_011707 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, CBKinase1_011707 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_011707 has 1 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_011707?
The CAS number of CBKinase1_011707 is 832092-53-2.
What is the molecular formula of CBKinase1_011707?
The molecular formula of CBKinase1_011707 is C20H20BrFN4OS.
What is the molecular weight of CBKinase1_011707?
The molecular weight of CBKinase1_011707 is 462.05 g/mol.
Where can I buy CBKinase1_011707?
You can request a quote for CBKinase1_011707 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011707?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011707 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.