CBKinase1_012205
TL;DR: CBKinase1_012205 (CAS 833429-89-3) is a chemical compound with molecular formula C18H16N4O2S and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: CBKinase1_012205, CBKinase1_024605, BRD-K33425529-001-01-5, F1770-0007, 2-(3-((4-methyl-4H-1,2,4-triazol-3-yl)thio)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C18H16N4O2S |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 2.7467 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.0994 |
| Heavy Atoms | 25 |
| Complexity | 931.37146 |
Chemical Identifiers
| CAS Number | 833429-89-3 |
|---|---|
| SMILES | CN1C=NN=C1SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
CBKinase1_012205 (CAS 833429-89-3), with molecular formula C18H16N4O2S and molecular weight 352.10 g/mol. IUPAC: 2-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of CBKinase1_012205
Property Insights of CBKinase1_012205
The XLogP value of 2.7467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_012205. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012205. Following Lipinski's Rule of Five, CBKinase1_012205 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_012205?
The CAS number of CBKinase1_012205 is 833429-89-3.
What is the molecular formula of CBKinase1_012205?
The molecular formula of CBKinase1_012205 is C18H16N4O2S.
What is the molecular weight of CBKinase1_012205?
The molecular weight of CBKinase1_012205 is 352.10 g/mol.
Where can I buy CBKinase1_012205?
You can request a quote for CBKinase1_012205 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012205?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012205 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.