CBKinase1_005893
TL;DR: CBKinase1_005893 (CAS 701231-23-4) is a chemical compound with molecular formula C22H17FN4OS and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-aminophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: CBKinase1_005893, CBKinase1_018293, BRD-K90295323-001-01-0, 2-[[5-(3-aminophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone, 2-{[5-(3-aminophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
| Molecular Formula | C22H17FN4OS |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 4.6306 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.11072 |
| Heavy Atoms | 29 |
| Complexity | 1143.2083 |
Chemical Identifiers
| CAS Number | 701231-23-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)C4=CC(=CC=C4)N |
Product Overview
CBKinase1_005893 (CAS 701231-23-4), with molecular formula C22H17FN4OS and molecular weight 404.11 g/mol. IUPAC: 2-[[5-(3-aminophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of CBKinase1_005893
Property Insights of CBKinase1_005893
The XLogP value of 4.6306 indicates that CBKinase1_005893 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005893. Following Lipinski's Rule of Five, CBKinase1_005893 has 1 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_005893?
The CAS number of CBKinase1_005893 is 701231-23-4.
What is the molecular formula of CBKinase1_005893?
The molecular formula of CBKinase1_005893 is C22H17FN4OS.
What is the molecular weight of CBKinase1_005893?
The molecular weight of CBKinase1_005893 is 404.11 g/mol.
Where can I buy CBKinase1_005893?
You can request a quote for CBKinase1_005893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005893?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.