CBKinase1_003500
TL;DR: CBKinase1_003500 (CAS 333791-75-6) is a chemical compound with molecular formula C21H15FN4OS and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: CBKinase1_003500, CBKinase1_015900, J1.656.225D, BRD-K18559654-001-01-7, 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
| Molecular Formula | C21H15FN4OS |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 4.4434 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.09506 |
| Heavy Atoms | 28 |
| Complexity | 1082.6158 |
Chemical Identifiers
| CAS Number | 333791-75-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4 |
Product Overview
CBKinase1_003500 (CAS 333791-75-6), with molecular formula C21H15FN4OS and molecular weight 390.10 g/mol. IUPAC: 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of CBKinase1_003500
Property Insights of CBKinase1_003500
The XLogP value of 4.4434 indicates that CBKinase1_003500 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_003500. Following Lipinski's Rule of Five, CBKinase1_003500 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_003500?
The CAS number of CBKinase1_003500 is 333791-75-6.
What is the molecular formula of CBKinase1_003500?
The molecular formula of CBKinase1_003500 is C21H15FN4OS.
What is the molecular weight of CBKinase1_003500?
The molecular weight of CBKinase1_003500 is 390.10 g/mol.
Where can I buy CBKinase1_003500?
You can request a quote for CBKinase1_003500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003500?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.