CBKinase1_011884
TL;DR: CBKinase1_011884 (CAS 838381-98-9) is a chemical compound with molecular formula C22H18N4O2S2 and molecular weight 434.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: CBKinase1_011884, CBKinase1_024284, BRD-K74482488-001-01-5, F1770-0036, 3-(3-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
| Molecular Formula | C22H18N4O2S2 |
|---|---|
| Molecular Weight | 434.09 g/mol |
| LogP | 4.4752 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.08713 |
| Heavy Atoms | 30 |
| Complexity | 1212.8822 |
Chemical Identifiers
| CAS Number | 838381-98-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CS5 |
Product Overview
CBKinase1_011884 (CAS 838381-98-9), with molecular formula C22H18N4O2S2 and molecular weight 434.09 g/mol. IUPAC: 2-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of CBKinase1_011884
Property Insights of CBKinase1_011884
The XLogP value of 4.4752 indicates that CBKinase1_011884 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011884. Following Lipinski's Rule of Five, CBKinase1_011884 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_011884?
The CAS number of CBKinase1_011884 is 838381-98-9.
What is the molecular formula of CBKinase1_011884?
The molecular formula of CBKinase1_011884 is C22H18N4O2S2.
What is the molecular weight of CBKinase1_011884?
The molecular weight of CBKinase1_011884 is 434.09 g/mol.
Where can I buy CBKinase1_011884?
You can request a quote for CBKinase1_011884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011884?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.