CBKinase1_002260
TL;DR: CBKinase1_002260 (CAS 665016-65-9) is a chemical compound with molecular formula C18H13BrClF3N4OS and molecular weight 503.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_002260, CBKinase1_014660, AN-698/41761030, BRD-K08361742-001-01-4, 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C18H13BrClF3N4OS |
|---|---|
| Molecular Weight | 503.96 g/mol |
| LogP | 5.6476 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.9634 |
| Heavy Atoms | 29 |
| Complexity | 1040.5758 |
Chemical Identifiers
| CAS Number | 665016-65-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C3=CC=C(C=C3)Br |
Product Overview
CBKinase1_002260 (CAS 665016-65-9), with molecular formula C18H13BrClF3N4OS and molecular weight 503.96 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_002260
Property Insights of CBKinase1_002260
The XLogP value of 5.6476 indicates that CBKinase1_002260 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_002260 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002260 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_002260?
The CAS number of CBKinase1_002260 is 665016-65-9.
What is the molecular formula of CBKinase1_002260?
The molecular formula of CBKinase1_002260 is C18H13BrClF3N4OS.
What is the molecular weight of CBKinase1_002260?
The molecular weight of CBKinase1_002260 is 503.96 g/mol.
Where can I buy CBKinase1_002260?
You can request a quote for CBKinase1_002260 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002260?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002260 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.