CBKinase1_005590
TL;DR: CBKinase1_005590 (CAS 701217-75-6) is a chemical compound with molecular formula C18H18FN5OS and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Also Known As: CBKinase1_005590, CBKinase1_017990, BRD-K27898728-001-01-0, 2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide, 2-{[5-(3-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
| Molecular Formula | C18H18FN5OS |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 3.4171 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.1216 |
| Heavy Atoms | 26 |
| Complexity | 927.4498 |
Chemical Identifiers
| CAS Number | 701217-75-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC(=CC=C3)N |
Product Overview
CBKinase1_005590 (CAS 701217-75-6), with molecular formula C18H18FN5OS and molecular weight 371.12 g/mol. IUPAC: 2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of CBKinase1_005590
Property Insights of CBKinase1_005590
The XLogP value of 3.4171 indicates that CBKinase1_005590 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_005590. Following Lipinski's Rule of Five, CBKinase1_005590 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_005590?
The CAS number of CBKinase1_005590 is 701217-75-6.
What is the molecular formula of CBKinase1_005590?
The molecular formula of CBKinase1_005590 is C18H18FN5OS.
What is the molecular weight of CBKinase1_005590?
The molecular weight of CBKinase1_005590 is 371.12 g/mol.
Where can I buy CBKinase1_005590?
You can request a quote for CBKinase1_005590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005590?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.