CBKinase1_007522
TL;DR: CBKinase1_007522 (CAS 708251-30-3) is a chemical compound with molecular formula C21H24N6OS and molecular weight 408.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: CBKinase1_007522, CBKinase1_019922, BRD-K13212243-001-01-6, 1-(4-benzylpiperazin-1-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-benzyl-4-({[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)piperazine
| Molecular Formula | C21H24N6OS |
|---|---|
| Molecular Weight | 408.17 g/mol |
| LogP | 2.3136 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.17322 |
| Heavy Atoms | 29 |
| Complexity | 938.3199 |
Chemical Identifiers
| CAS Number | 708251-30-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=NC=C4 |
Product Overview
CBKinase1_007522 (CAS 708251-30-3), with molecular formula C21H24N6OS and molecular weight 408.17 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_007522
Property Insights of CBKinase1_007522
The XLogP value of 2.3136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_007522. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007522. Following Lipinski's Rule of Five, CBKinase1_007522 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_007522?
The CAS number of CBKinase1_007522 is 708251-30-3.
What is the molecular formula of CBKinase1_007522?
The molecular formula of CBKinase1_007522 is C21H24N6OS.
What is the molecular weight of CBKinase1_007522?
The molecular weight of CBKinase1_007522 is 408.17 g/mol.
Where can I buy CBKinase1_007522?
You can request a quote for CBKinase1_007522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007522?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.