CBKinase1_002775
TL;DR: CBKinase1_002775 (CAS 693241-62-2) is a chemical compound with molecular formula C18H16F3N5OS and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_002775, CBKinase1_015175, BRD-K63167647-001-01-3, 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-{[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C18H16F3N5OS |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 3.8139 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.10275 |
| Heavy Atoms | 28 |
| Complexity | 1002.8813 |
Chemical Identifiers
| CAS Number | 693241-62-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC(=CC=C3)N |
Product Overview
CBKinase1_002775 (CAS 693241-62-2), with molecular formula C18H16F3N5OS and molecular weight 407.10 g/mol. IUPAC: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_002775
Property Insights of CBKinase1_002775
The XLogP value of 3.8139 indicates that CBKinase1_002775 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_002775. Following Lipinski's Rule of Five, CBKinase1_002775 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_002775?
The CAS number of CBKinase1_002775 is 693241-62-2.
What is the molecular formula of CBKinase1_002775?
The molecular formula of CBKinase1_002775 is C18H16F3N5OS.
What is the molecular weight of CBKinase1_002775?
The molecular weight of CBKinase1_002775 is 407.10 g/mol.
Where can I buy CBKinase1_002775?
You can request a quote for CBKinase1_002775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002775?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.