CBKinase1_002681
TL;DR: CBKinase1_002681 (CAS 956791-34-7) is a chemical compound with molecular formula C26H22N4O3 and molecular weight 438.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)butanamide
Also Known As: CBKinase1_002681, CBKinase1_015081, VU0044357-2, F1346-0032, 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)butanamide
| Molecular Formula | C26H22N4O3 |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 4.34882 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.1692 |
| Heavy Atoms | 33 |
| Complexity | 1340.6967 |
Chemical Identifiers
| CAS Number | 956791-34-7 |
|---|---|
| SMILES | CC1=NN(C(=C1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5 |
Product Overview
CBKinase1_002681 (CAS 956791-34-7), with molecular formula C26H22N4O3 and molecular weight 438.17 g/mol. IUPAC: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)butanamide.
Chemical Property Profile of CBKinase1_002681
Property Insights of CBKinase1_002681
The XLogP value of 4.34882 indicates that CBKinase1_002681 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002681. Following Lipinski's Rule of Five, CBKinase1_002681 has 1 hydrogen bond donor(s) and 4 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_002681?
The CAS number of CBKinase1_002681 is 956791-34-7.
What is the molecular formula of CBKinase1_002681?
The molecular formula of CBKinase1_002681 is C26H22N4O3.
What is the molecular weight of CBKinase1_002681?
The molecular weight of CBKinase1_002681 is 438.17 g/mol.
Where can I buy CBKinase1_002681?
You can request a quote for CBKinase1_002681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002681?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.