CBKinase1_007176
TL;DR: CBKinase1_007176 (CAS 436122-62-2) is a chemical compound with molecular formula C23H17F3N4OS and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_007176, CBKinase1_019576, BRD-K24204794-001-01-3, 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide, 2-(4,5-diphenyl(1,2,4-triazol-3-ylthio))-N-[4-(trifluoromethyl)phenyl]acetamid e
| Molecular Formula | C23H17F3N4OS |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 5.6839 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.1075 |
| Heavy Atoms | 32 |
| Complexity | 1193.6559 |
Chemical Identifiers
| CAS Number | 436122-62-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(F)(F)F |
Product Overview
CBKinase1_007176 (CAS 436122-62-2), with molecular formula C23H17F3N4OS and molecular weight 454.11 g/mol. IUPAC: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_007176
Property Insights of CBKinase1_007176
The XLogP value of 5.6839 indicates that CBKinase1_007176 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_007176 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_007176 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_007176?
The CAS number of CBKinase1_007176 is 436122-62-2.
What is the molecular formula of CBKinase1_007176?
The molecular formula of CBKinase1_007176 is C23H17F3N4OS.
What is the molecular weight of CBKinase1_007176?
The molecular weight of CBKinase1_007176 is 454.11 g/mol.
Where can I buy CBKinase1_007176?
You can request a quote for CBKinase1_007176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007176?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.