CBKinase1_003361
TL;DR: CBKinase1_003361 (CAS 496776-52-4) is a chemical compound with molecular formula C24H19N3O3S and molecular weight 429.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-methylsulfanylbenzimidazol-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
Also Known As: CBKinase1_003361, CBKinase1_015761, F1346-0067, 3-{4-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]-4-oxobutyl}-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, 2-[4-(2-methylsulfanylbenzimidazol-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C24H19N3O3S |
|---|---|
| Molecular Weight | 429.11 g/mol |
| LogP | 4.628 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.11472 |
| Heavy Atoms | 31 |
| Complexity | 1324.5253 |
Chemical Identifiers
| CAS Number | 496776-52-4 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2N1C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
CBKinase1_003361 (CAS 496776-52-4), with molecular formula C24H19N3O3S and molecular weight 429.11 g/mol. IUPAC: 2-[4-(2-methylsulfanylbenzimidazol-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of CBKinase1_003361
Property Insights of CBKinase1_003361
The XLogP value of 4.628 indicates that CBKinase1_003361 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003361. Following Lipinski's Rule of Five, CBKinase1_003361 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_003361?
The CAS number of CBKinase1_003361 is 496776-52-4.
What is the molecular formula of CBKinase1_003361?
The molecular formula of CBKinase1_003361 is C24H19N3O3S.
What is the molecular weight of CBKinase1_003361?
The molecular weight of CBKinase1_003361 is 429.11 g/mol.
Where can I buy CBKinase1_003361?
You can request a quote for CBKinase1_003361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003361?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.