CBKinase1_002081
TL;DR: CBKinase1_002081 (CAS 345972-32-9) is a chemical compound with molecular formula C24H20FN3OS and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dimethylphenyl)-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_002081, CBKinase1_014481, BRD-K65891509-001-01-3, 1-(2,4-dimethylphenyl)-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(2,4-dimethylphenyl)-2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C24H20FN3OS |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 5.66524 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.1311 |
| Heavy Atoms | 30 |
| Complexity | 1204.314 |
Chemical Identifiers
| CAS Number | 345972-32-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)F)C |
Product Overview
CBKinase1_002081 (CAS 345972-32-9), with molecular formula C24H20FN3OS and molecular weight 417.13 g/mol. IUPAC: 1-(2,4-dimethylphenyl)-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_002081
Property Insights of CBKinase1_002081
The XLogP value of 5.66524 indicates that CBKinase1_002081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, CBKinase1_002081 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002081 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_002081?
The CAS number of CBKinase1_002081 is 345972-32-9.
What is the molecular formula of CBKinase1_002081?
The molecular formula of CBKinase1_002081 is C24H20FN3OS.
What is the molecular weight of CBKinase1_002081?
The molecular weight of CBKinase1_002081 is 417.13 g/mol.
Where can I buy CBKinase1_002081?
You can request a quote for CBKinase1_002081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002081?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.