CBKinase1_012134
TL;DR: CBKinase1_012134 (CAS 832104-97-9) is a chemical compound with molecular formula C21H18BrN3O3S and molecular weight 471.03 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]-1-(4-methoxyphenyl)ethanone
Also Known As: CBKinase1_012134, CBKinase1_024534, BRD-K68007206-001-01-9, 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone, 2-{[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
| Molecular Formula | C21H18BrN3O3S |
|---|---|
| Molecular Weight | 471.03 g/mol |
| LogP | 5.4573 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.02524 |
| Heavy Atoms | 29 |
| Complexity | 1167.8546 |
Chemical Identifiers
| CAS Number | 832104-97-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC4=C(O3)C=CC(=C4)Br |
Product Overview
CBKinase1_012134 (CAS 832104-97-9), with molecular formula C21H18BrN3O3S and molecular weight 471.03 g/mol. IUPAC: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of CBKinase1_012134
Property Insights of CBKinase1_012134
The XLogP value of 5.4573 indicates that CBKinase1_012134 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012134. Following Lipinski's Rule of Five, CBKinase1_012134 has 0 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_012134?
The CAS number of CBKinase1_012134 is 832104-97-9.
What is the molecular formula of CBKinase1_012134?
The molecular formula of CBKinase1_012134 is C21H18BrN3O3S.
What is the molecular weight of CBKinase1_012134?
The molecular weight of CBKinase1_012134 is 471.03 g/mol.
Where can I buy CBKinase1_012134?
You can request a quote for CBKinase1_012134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012134?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.