CBKinase1_002798
TL;DR: CBKinase1_002798 (CAS 693240-06-1) is a chemical compound with molecular formula C20H18F3N5O2S and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_002798, CBKinase1_015198, BRD-K24136298-001-01-8, 2-({5-[4-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C20H18F3N5O2S |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 4.1901 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.11334 |
| Heavy Atoms | 31 |
| Complexity | 1096.94 |
Chemical Identifiers
| CAS Number | 693240-06-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
CBKinase1_002798 (CAS 693240-06-1), with molecular formula C20H18F3N5O2S and molecular weight 449.11 g/mol. IUPAC: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_002798
Property Insights of CBKinase1_002798
The XLogP value of 4.1901 indicates that CBKinase1_002798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002798. Following Lipinski's Rule of Five, CBKinase1_002798 has 2 hydrogen bond donor(s) and 5 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_002798?
The CAS number of CBKinase1_002798 is 693240-06-1.
What is the molecular formula of CBKinase1_002798?
The molecular formula of CBKinase1_002798 is C20H18F3N5O2S.
What is the molecular weight of CBKinase1_002798?
The molecular weight of CBKinase1_002798 is 449.11 g/mol.
Where can I buy CBKinase1_002798?
You can request a quote for CBKinase1_002798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002798?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.