CBKinase1_007997
TL;DR: CBKinase1_007997 (CAS 708992-47-6) is a chemical compound with molecular formula C23H23N5O2S and molecular weight 433.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: CBKinase1_007997, CBKinase1_020397, BRD-K10252346-001-01-1, 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 1-({[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetyl)-4-phenylpiperazine
| Molecular Formula | C23H23N5O2S |
|---|---|
| Molecular Weight | 433.16 g/mol |
| LogP | 3.6692 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.15726 |
| Heavy Atoms | 31 |
| Complexity | 1162.1412 |
Chemical Identifiers
| CAS Number | 708992-47-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=CC=CC=C5O4 |
Product Overview
CBKinase1_007997 (CAS 708992-47-6), with molecular formula C23H23N5O2S and molecular weight 433.16 g/mol. IUPAC: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of CBKinase1_007997
Property Insights of CBKinase1_007997
The XLogP value of 3.6692 indicates that CBKinase1_007997 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007997. Following Lipinski's Rule of Five, CBKinase1_007997 has 0 hydrogen bond donor(s) and 6 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_007997?
The CAS number of CBKinase1_007997 is 708992-47-6.
What is the molecular formula of CBKinase1_007997?
The molecular formula of CBKinase1_007997 is C23H23N5O2S.
What is the molecular weight of CBKinase1_007997?
The molecular weight of CBKinase1_007997 is 433.16 g/mol.
Where can I buy CBKinase1_007997?
You can request a quote for CBKinase1_007997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007997?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.