CBKinase1_006059
TL;DR: CBKinase1_006059 (CAS 610281-89-5) is a chemical compound with molecular formula C21H15BrN4OS and molecular weight 450.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: CBKinase1_006059, CBKinase1_018459, AQ-088/12099700, 1-(4-bromophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, BRD-K37197175-001-01-3
| Molecular Formula | C21H15BrN4OS |
|---|---|
| Molecular Weight | 450.01 g/mol |
| LogP | 5.0668 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.01498 |
| Heavy Atoms | 28 |
| Complexity | 1082.6158 |
Chemical Identifiers
| CAS Number | 610281-89-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)C4=CC=NC=C4 |
Product Overview
CBKinase1_006059 (CAS 610281-89-5), with molecular formula C21H15BrN4OS and molecular weight 450.01 g/mol. IUPAC: 1-(4-bromophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_006059
Property Insights of CBKinase1_006059
The XLogP value of 5.0668 indicates that CBKinase1_006059 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_006059. Following Lipinski's Rule of Five, CBKinase1_006059 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_006059?
The CAS number of CBKinase1_006059 is 610281-89-5.
What is the molecular formula of CBKinase1_006059?
The molecular formula of CBKinase1_006059 is C21H15BrN4OS.
What is the molecular weight of CBKinase1_006059?
The molecular weight of CBKinase1_006059 is 450.01 g/mol.
Where can I buy CBKinase1_006059?
You can request a quote for CBKinase1_006059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006059?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.