CBKinase1_004319
TL;DR: CBKinase1_004319 (CAS 665018-49-5) is a chemical compound with molecular formula C20H19F3N4OS and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_004319, CBKinase1_016719, AN-698/42116541, BRD-K64532448-001-01-8, 2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C20H19F3N4OS |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 5.02302 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.12317 |
| Heavy Atoms | 29 |
| Complexity | 999.70605 |
Chemical Identifiers
| CAS Number | 665018-49-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)C |
Product Overview
CBKinase1_004319 (CAS 665018-49-5), with molecular formula C20H19F3N4OS and molecular weight 420.12 g/mol. IUPAC: 2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_004319
Property Insights of CBKinase1_004319
The XLogP value of 5.02302 indicates that CBKinase1_004319 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_004319 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004319 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_004319?
The CAS number of CBKinase1_004319 is 665018-49-5.
What is the molecular formula of CBKinase1_004319?
The molecular formula of CBKinase1_004319 is C20H19F3N4OS.
What is the molecular weight of CBKinase1_004319?
The molecular weight of CBKinase1_004319 is 420.12 g/mol.
Where can I buy CBKinase1_004319?
You can request a quote for CBKinase1_004319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004319?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.