CBKinase1_007068
TL;DR: CBKinase1_007068 (CAS 708243-36-1) is a chemical compound with molecular formula C21H19BrN4O2S2 and molecular weight 502.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
Also Known As: CBKinase1_007068, CBKinase1_019468, BRD-K41709230-001-01-2, 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide, 2-{[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
| Molecular Formula | C21H19BrN4O2S2 |
|---|---|
| Molecular Weight | 502.01 g/mol |
| LogP | 5.9264 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.01328 |
| Heavy Atoms | 30 |
| Complexity | 1204.9149 |
Chemical Identifiers
| CAS Number | 708243-36-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)C3=CC4=C(O3)C=CC(=C4)Br |
Product Overview
CBKinase1_007068 (CAS 708243-36-1), with molecular formula C21H19BrN4O2S2 and molecular weight 502.01 g/mol. IUPAC: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide.
Chemical Property Profile of CBKinase1_007068
Property Insights of CBKinase1_007068
The XLogP value of 5.9264 indicates that CBKinase1_007068 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007068. Following Lipinski's Rule of Five, CBKinase1_007068 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_007068?
The CAS number of CBKinase1_007068 is 708243-36-1.
What is the molecular formula of CBKinase1_007068?
The molecular formula of CBKinase1_007068 is C21H19BrN4O2S2.
What is the molecular weight of CBKinase1_007068?
The molecular weight of CBKinase1_007068 is 502.01 g/mol.
Where can I buy CBKinase1_007068?
You can request a quote for CBKinase1_007068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007068?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.