CBKinase1_011188
TL;DR: CBKinase1_011188 (CAS 690249-58-2) is a chemical compound with molecular formula C23H17ClN4O2S and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: CBKinase1_011188, CBKinase1_023588, F1743-0037, 2-(3-((5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, BRD-K03720126-001-01-2
| Molecular Formula | C23H17ClN4O2S |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 5.0567 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.07608 |
| Heavy Atoms | 31 |
| Complexity | 1251.9377 |
Chemical Identifiers
| CAS Number | 690249-58-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=NNC(=N4)C5=CC=C(C=C5)Cl |
Product Overview
CBKinase1_011188 (CAS 690249-58-2), with molecular formula C23H17ClN4O2S and molecular weight 448.08 g/mol. IUPAC: 2-[3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of CBKinase1_011188
Property Insights of CBKinase1_011188
The XLogP value of 5.0567 indicates that CBKinase1_011188 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011188. Following Lipinski's Rule of Five, CBKinase1_011188 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_011188?
The CAS number of CBKinase1_011188 is 690249-58-2.
What is the molecular formula of CBKinase1_011188?
The molecular formula of CBKinase1_011188 is C23H17ClN4O2S.
What is the molecular weight of CBKinase1_011188?
The molecular weight of CBKinase1_011188 is 448.08 g/mol.
Where can I buy CBKinase1_011188?
You can request a quote for CBKinase1_011188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011188?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.