CBKinase1_005847
TL;DR: CBKinase1_005847 (CAS 637320-96-8) is a chemical compound with molecular formula C17H15FN4OS and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: CBKinase1_005847, CBKinase1_018247, BRD-K44004961-001-01-0, 2-[(4-ethyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)ethanone, 2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
| Molecular Formula | C17H15FN4OS |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.4741 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.09506 |
| Heavy Atoms | 24 |
| Complexity | 833.5567 |
Chemical Identifiers
| CAS Number | 637320-96-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)C3=CN=CC=C3 |
Product Overview
CBKinase1_005847 (CAS 637320-96-8), with molecular formula C17H15FN4OS and molecular weight 342.10 g/mol. IUPAC: 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of CBKinase1_005847
Property Insights of CBKinase1_005847
The XLogP value of 3.4741 indicates that CBKinase1_005847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005847. Following Lipinski's Rule of Five, CBKinase1_005847 has 0 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_005847?
The CAS number of CBKinase1_005847 is 637320-96-8.
What is the molecular formula of CBKinase1_005847?
The molecular formula of CBKinase1_005847 is C17H15FN4OS.
What is the molecular weight of CBKinase1_005847?
The molecular weight of CBKinase1_005847 is 342.10 g/mol.
Where can I buy CBKinase1_005847?
You can request a quote for CBKinase1_005847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005847?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.