CBKinase1_005556
TL;DR: CBKinase1_005556 (CAS 701228-69-5) is a chemical compound with molecular formula C23H23N7OS and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: CBKinase1_005556, CBKinase1_017956, BRD-K61583652-001-01-5, 1-(4-methylphenyl)-4-{4-[(4H-1,2,4-triazol-3-ylthio)acetyl]-1-piperazinyl}phthalazine, 1-{4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl}-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
| Molecular Formula | C23H23N7OS |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 3.16422 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.1685 |
| Heavy Atoms | 32 |
| Complexity | 1219.0774 |
Chemical Identifiers
| CAS Number | 701228-69-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CSC5=NC=NN5 |
Product Overview
CBKinase1_005556 (CAS 701228-69-5), with molecular formula C23H23N7OS and molecular weight 445.17 g/mol. IUPAC: 1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.
Chemical Property Profile of CBKinase1_005556
Property Insights of CBKinase1_005556
The XLogP value of 3.16422 indicates that CBKinase1_005556 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005556. Following Lipinski's Rule of Five, CBKinase1_005556 has 1 hydrogen bond donor(s) and 7 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_005556?
The CAS number of CBKinase1_005556 is 701228-69-5.
What is the molecular formula of CBKinase1_005556?
The molecular formula of CBKinase1_005556 is C23H23N7OS.
What is the molecular weight of CBKinase1_005556?
The molecular weight of CBKinase1_005556 is 445.17 g/mol.
Where can I buy CBKinase1_005556?
You can request a quote for CBKinase1_005556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005556?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.