CBKinase1_000568
TL;DR: CBKinase1_000568 (CAS 325850-80-4) is a chemical compound with molecular formula C22H16N4O3 and molecular weight 384.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(benzotriazol-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
Also Known As: CBKinase1_000568, CBKinase1_012968, BAS 01259437, 2-(4-(1H-benzo[d][1,2,3]triazol-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-[4-(benzotriazol-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C22H16N4O3 |
|---|---|
| Molecular Weight | 384.12 g/mol |
| LogP | 3.3011 |
| Topological Polar Surface Area | 85.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.12225 |
| Heavy Atoms | 29 |
| Complexity | 1257.1653 |
Chemical Identifiers
| CAS Number | 325850-80-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
CBKinase1_000568 (CAS 325850-80-4), with molecular formula C22H16N4O3 and molecular weight 384.12 g/mol. IUPAC: 2-[4-(benzotriazol-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of CBKinase1_000568
Property Insights of CBKinase1_000568
The XLogP value of 3.3011 indicates that CBKinase1_000568 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.16 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000568. Following Lipinski's Rule of Five, CBKinase1_000568 has 0 hydrogen bond donor(s) and 5 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_000568?
The CAS number of CBKinase1_000568 is 325850-80-4.
What is the molecular formula of CBKinase1_000568?
The molecular formula of CBKinase1_000568 is C22H16N4O3.
What is the molecular weight of CBKinase1_000568?
The molecular weight of CBKinase1_000568 is 384.12 g/mol.
Where can I buy CBKinase1_000568?
You can request a quote for CBKinase1_000568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000568?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.