CBKinase1_011814
TL;DR: CBKinase1_011814 (CAS 690249-60-6) is a chemical compound with molecular formula C23H17FN4O2S and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: CBKinase1_011814, CBKinase1_024214, BRD-K48775817-001-01-7, F1743-0039, 3-(3-{[5-(4-fluorophenyl)-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 | C23H17FN4O2S |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 4.5424 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.10562 |
| Heavy Atoms | 31 |
| Complexity | 1251.9377 |
Chemical Identifiers
| CAS Number | 690249-60-6 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=NNC(=N4)C5=CC=C(C=C5)F |
Product Overview
CBKinase1_011814 (CAS 690249-60-6), with molecular formula C23H17FN4O2S and molecular weight 432.11 g/mol. IUPAC: 2-[3-[[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of CBKinase1_011814
Property Insights of CBKinase1_011814
The XLogP value of 4.5424 indicates that CBKinase1_011814 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_011814. Following Lipinski's Rule of Five, CBKinase1_011814 has 1 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_011814?
The CAS number of CBKinase1_011814 is 690249-60-6.
What is the molecular formula of CBKinase1_011814?
The molecular formula of CBKinase1_011814 is C23H17FN4O2S.
What is the molecular weight of CBKinase1_011814?
The molecular weight of CBKinase1_011814 is 432.11 g/mol.
Where can I buy CBKinase1_011814?
You can request a quote for CBKinase1_011814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011814?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.