CBKinase1_012335
TL;DR: CBKinase1_012335 (CAS 690249-54-8) is a chemical compound with molecular formula C26H24N4O4S and molecular weight 488.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: CBKinase1_012335, CBKinase1_024735, F1743-0032, BRD-K66940191-001-01-0, 3-(3-{[5-(3,4-dimethoxyphenyl)-4-methyl-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 | C26H24N4O4S |
|---|---|
| Molecular Weight | 488.15 g/mol |
| LogP | 4.4309 |
| Topological Polar Surface Area | 86.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.15182 |
| Heavy Atoms | 35 |
| Complexity | 1398.0685 |
Chemical Identifiers
| CAS Number | 690249-54-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC(=C(C=C5)OC)OC |
Product Overview
CBKinase1_012335 (CAS 690249-54-8), with molecular formula C26H24N4O4S and molecular weight 488.15 g/mol. IUPAC: 2-[3-[[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of CBKinase1_012335
Property Insights of CBKinase1_012335
The XLogP value of 4.4309 indicates that CBKinase1_012335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.55 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012335. Following Lipinski's Rule of Five, CBKinase1_012335 has 0 hydrogen bond donor(s) and 7 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_012335?
The CAS number of CBKinase1_012335 is 690249-54-8.
What is the molecular formula of CBKinase1_012335?
The molecular formula of CBKinase1_012335 is C26H24N4O4S.
What is the molecular weight of CBKinase1_012335?
The molecular weight of CBKinase1_012335 is 488.15 g/mol.
Where can I buy CBKinase1_012335?
You can request a quote for CBKinase1_012335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012335?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.