CBKinase1_012021
TL;DR: CBKinase1_012021 (CAS 832680-50-9) is a chemical compound with molecular formula C18H14BrF3N4OS and molecular weight 470.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,6-difluorophenyl)-2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_012021, CBKinase1_024421, BRD-K84822654-001-01-8, N-(2-bromo-4,6-difluorophenyl)-2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-bromo-4,6-difluorophenyl)-2-{[4-ethyl-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C18H14BrF3N4OS |
|---|---|
| Molecular Weight | 470.00 g/mol |
| LogP | 4.8756 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.00238 |
| Heavy Atoms | 28 |
| Complexity | 1004.8105 |
Chemical Identifiers
| CAS Number | 832680-50-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Br)F)F)C3=CC=CC=C3F |
Product Overview
CBKinase1_012021 (CAS 832680-50-9), with molecular formula C18H14BrF3N4OS and molecular weight 470.00 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_012021
Property Insights of CBKinase1_012021
The XLogP value of 4.8756 indicates that CBKinase1_012021 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_012021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_012021 has 1 hydrogen bond donor(s) and 4 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_012021?
The CAS number of CBKinase1_012021 is 832680-50-9.
What is the molecular formula of CBKinase1_012021?
The molecular formula of CBKinase1_012021 is C18H14BrF3N4OS.
What is the molecular weight of CBKinase1_012021?
The molecular weight of CBKinase1_012021 is 470.00 g/mol.
Where can I buy CBKinase1_012021?
You can request a quote for CBKinase1_012021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012021?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.