CBKinase1_007783
TL;DR: CBKinase1_007783 (CAS 708993-78-6) is a chemical compound with molecular formula C21H18BrClN4O2S and molecular weight 504.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2,6-dimethylphenyl)-2-[[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_007783, CBKinase1_020183, BRD-K68248518-001-01-2, N-(4-bromo-2,6-dimethylphenyl)-2-[[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-2,6-dimethylphenyl)-2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H18BrClN4O2S |
|---|---|
| Molecular Weight | 504.00 g/mol |
| LogP | 5.99184 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.00223 |
| Heavy Atoms | 30 |
| Complexity | 1244.3606 |
Chemical Identifiers
| CAS Number | 708993-78-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C=CC(=C4)Cl)C)Br |
Product Overview
CBKinase1_007783 (CAS 708993-78-6), with molecular formula C21H18BrClN4O2S and molecular weight 504.00 g/mol. IUPAC: N-(4-bromo-2,6-dimethylphenyl)-2-[[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_007783
Property Insights of CBKinase1_007783
The XLogP value of 5.99184 indicates that CBKinase1_007783 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_007783. Following Lipinski's Rule of Five, CBKinase1_007783 has 1 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_007783?
The CAS number of CBKinase1_007783 is 708993-78-6.
What is the molecular formula of CBKinase1_007783?
The molecular formula of CBKinase1_007783 is C21H18BrClN4O2S.
What is the molecular weight of CBKinase1_007783?
The molecular weight of CBKinase1_007783 is 504.00 g/mol.
Where can I buy CBKinase1_007783?
You can request a quote for CBKinase1_007783 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007783?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.