CBKinase1_012369
TL;DR: CBKinase1_012369 (CAS 690249-42-4) is a chemical compound with molecular formula C28H21N5O2S and molecular weight 491.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: CBKinase1_012369, CBKinase1_024769, F1743-0015, BRD-K83110165-001-01-1, 3-(3-{[4-phenyl-5-(pyridin-4-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 | C28H21N5O2S |
|---|---|
| Molecular Weight | 491.14 g/mol |
| LogP | 5.2609 |
| Topological Polar Surface Area | 80.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.1416 |
| Heavy Atoms | 36 |
| Complexity | 1533.4524 |
Chemical Identifiers
| CAS Number | 690249-42-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6 |
Product Overview
CBKinase1_012369 (CAS 690249-42-4), with molecular formula C28H21N5O2S and molecular weight 491.14 g/mol. IUPAC: 2-[3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of CBKinase1_012369
Property Insights of CBKinase1_012369
The XLogP value of 5.2609 indicates that CBKinase1_012369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.98 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012369. Following Lipinski's Rule of Five, CBKinase1_012369 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_012369?
The CAS number of CBKinase1_012369 is 690249-42-4.
What is the molecular formula of CBKinase1_012369?
The molecular formula of CBKinase1_012369 is C28H21N5O2S.
What is the molecular weight of CBKinase1_012369?
The molecular weight of CBKinase1_012369 is 491.14 g/mol.
Where can I buy CBKinase1_012369?
You can request a quote for CBKinase1_012369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012369?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.