CBKinase1_002728
TL;DR: CBKinase1_002728 (CAS 496776-94-4) is a chemical compound with molecular formula C23H21N5O3 and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: CBKinase1_002728, CBKinase1_015128, F1346-0023, 2-(3-oxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, BRD-K84505626-001-01-4
| Molecular Formula | C23H21N5O3 |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 1.9647 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.16443 |
| Heavy Atoms | 31 |
| Complexity | 1121.5553 |
Chemical Identifiers
| CAS Number | 496776-94-4 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=CC=N2)C(=O)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
CBKinase1_002728 (CAS 496776-94-4), with molecular formula C23H21N5O3 and molecular weight 415.16 g/mol. IUPAC: 2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of CBKinase1_002728
Property Insights of CBKinase1_002728
The XLogP value of 1.9647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_002728. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002728. Following Lipinski's Rule of Five, CBKinase1_002728 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_002728?
The CAS number of CBKinase1_002728 is 496776-94-4.
What is the molecular formula of CBKinase1_002728?
The molecular formula of CBKinase1_002728 is C23H21N5O3.
What is the molecular weight of CBKinase1_002728?
The molecular weight of CBKinase1_002728 is 415.16 g/mol.
Where can I buy CBKinase1_002728?
You can request a quote for CBKinase1_002728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002728?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.