CBKinase1_002372
TL;DR: CBKinase1_002372 (CAS 693235-80-2) is a chemical compound with molecular formula C19H18F3N5OS and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_002372, CBKinase1_014772, BRD-K29256600-001-01-2, 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C19H18F3N5OS |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 4.2968 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.1184 |
| Heavy Atoms | 29 |
| Complexity | 1001.82434 |
Chemical Identifiers
| CAS Number | 693235-80-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)N |
Product Overview
CBKinase1_002372 (CAS 693235-80-2), with molecular formula C19H18F3N5OS and molecular weight 421.12 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_002372
Property Insights of CBKinase1_002372
The XLogP value of 4.2968 indicates that CBKinase1_002372 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002372. Following Lipinski's Rule of Five, CBKinase1_002372 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_002372?
The CAS number of CBKinase1_002372 is 693235-80-2.
What is the molecular formula of CBKinase1_002372?
The molecular formula of CBKinase1_002372 is C19H18F3N5OS.
What is the molecular weight of CBKinase1_002372?
The molecular weight of CBKinase1_002372 is 421.12 g/mol.
Where can I buy CBKinase1_002372?
You can request a quote for CBKinase1_002372 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002372?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002372 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.